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Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.
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Keyword Search:
1 – 15 of 42 results
1

Acalabrutinib, TRC

CAS: 1420477-60-6 Molecular Formula: C26H23N7O2 Molecular Weight (g/mol): 465.51 Synonym: 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide,ACP 196 IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide SMILES: CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25

CAS 1420477-60-6
Molecular Weight (g/mol) 465.51
SMILES CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25
Synonym 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide,ACP 196
IUPAC Name 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
Molecular Formula C26H23N7O2
2

Nimorazole, TRC

CAS: 6506-37-2 Molecular Formula: C9 H14 N4 O3 Molecular Weight (g/mol): 226.23 Synonym: Morpholine, 4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]-,Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]- (7CI,8CI),1-(β-Morpholinoethyl)-5-nitroimidazole,4-[2-(5-Nitroimidazol-1-yl)ethyl]morpholine,Acterol,Esclama,K-1900,NSC 107524,Naxofem,Naxogin,Nimorazol,Nimorazole,Nitrimidazine,Nulogyl IUPAC Name: 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine SMILES: [O-][N+](=O)c1cncn1CCN2CCOCC2

CAS 6506-37-2
Molecular Weight (g/mol) 226.23
SMILES [O-][N+](=O)c1cncn1CCN2CCOCC2
Synonym Morpholine, 4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]-,Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]- (7CI,8CI),1-(β-Morpholinoethyl)-5-nitroimidazole,4-[2-(5-Nitroimidazol-1-yl)ethyl]morpholine,Acterol,Esclama,K-1900,NSC 107524,Naxofem,Naxogin,Nimorazol,Nimorazole,Nitrimidazine,Nulogyl
IUPAC Name 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
Molecular Formula C9 H14 N4 O3
3

Carbimazole, TRC

CAS: 22232-54-8 Molecular Formula: C7 H10 N2 O2 S Molecular Weight (g/mol): 186.23 Synonym: Carbimazole,Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate,1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, ethyl ester,4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester (6CI,8CI),1-Ethoxycarbonyl-3-methyl-2-thio-4-imidazoline,1-Methyl-3-carbethoxy-2-thioglyoxalone,3-Carbethoxymercapto-1-methylimidazole,3-Carbethoxythio-1-methylglyoxaline,3-Carbethoxythio-1-methyliminazole,Athyromazole,Basolest,CG 1,Carbethoxymethimazole,Carbimazol,Carbimazole,Ethyl 3-methyl-2-thioimidazoline-1-carboxylate,Ethyl 3-methyl-2-thioxo-δ4-imidazoline-1-carboxylate,Neo-Thyreostat,Neomercazole,Tyrazol IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C)C1=S

CAS 22232-54-8
Molecular Weight (g/mol) 186.23
SMILES CCOC(=O)N1C=CN(C)C1=S
Synonym Carbimazole,Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate,1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, ethyl ester,4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester (6CI,8CI),1-Ethoxycarbonyl-3-methyl-2-thio-4-imidazoline,1-Methyl-3-carbethoxy-2-thioglyoxalone,3-Carbethoxymercapto-1-methylimidazole,3-Carbethoxythio-1-methylglyoxaline,3-Carbethoxythio-1-methyliminazole,Athyromazole,Basolest,CG 1,Carbethoxymethimazole,Carbimazol,Carbimazole,Ethyl 3-methyl-2-thioimidazoline-1-carboxylate,Ethyl 3-methyl-2-thioxo-δ4-imidazoline-1-carboxylate,Neo-Thyreostat,Neomercazole,Tyrazol
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
Molecular Formula C7 H10 N2 O2 S
4

Ipronidazole, TRC

CAS: 14885-29-1 Molecular Formula: C7 H11 N3 O2 Molecular Weight (g/mol): 169.18 Synonym: Imidazole, 2-isopropyl-1-methyl-5-nitro- (8CI),1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole,1-Methyl-2-isopropyl-5-nitroimidazole,2-Isopropyl-1-methyl-5-nitroimidazole,Ipronidazole,Ipropran,NSC 109212,Ro 07-1554 IUPAC Name: 1-methyl-5-nitro-2-propan-2-ylimidazole SMILES: CC(C)c1ncc([N+](=O)[O-])n1C

CAS 14885-29-1
Molecular Weight (g/mol) 169.18
SMILES CC(C)c1ncc([N+](=O)[O-])n1C
Synonym Imidazole, 2-isopropyl-1-methyl-5-nitro- (8CI),1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole,1-Methyl-2-isopropyl-5-nitroimidazole,2-Isopropyl-1-methyl-5-nitroimidazole,Ipronidazole,Ipropran,NSC 109212,Ro 07-1554
IUPAC Name 1-methyl-5-nitro-2-propan-2-ylimidazole
Molecular Formula C7 H11 N3 O2
5

Etomidate, TRC

CAS: 33125-97-2 Molecular Formula: C14 H16 N2 O2 Molecular Weight (g/mol): 244.29 Synonym: 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester,1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-,Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-,(+)-Etomidate,Amidate,Amidate (pharmaceutical),D-Etomidate,Etomidate,Hypnomidate,Lipuro,Propiscin,R 16659,Radenarcon,d-Etomidate IUPAC Name: ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate SMILES: CCOC(=O)c1cncn1[C@H](C)c2ccccc2

CAS 33125-97-2
Molecular Weight (g/mol) 244.29
SMILES CCOC(=O)c1cncn1[C@H](C)c2ccccc2
Synonym 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester,1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-,Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-,(+)-Etomidate,Amidate,Amidate (pharmaceutical),D-Etomidate,Etomidate,Hypnomidate,Lipuro,Propiscin,R 16659,Radenarcon,d-Etomidate
IUPAC Name ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
Molecular Formula C14 H16 N2 O2
6

Isometronidazole, TRC

CAS: 705-19-1 Molecular Formula: C6 H9 N3 O3 Molecular Weight (g/mol): 171.15 Synonym: 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethanol,Metronidazole Imp. E (EP),2-Methyl-4-nitro-1H-imidazole-1-ethanol,2-Methyl-4-nitroimidazole-1-ethanol,1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole,Isometronidazole,Izoklion,Mizonidazole,RP 8979,SC-16427 IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)ethanol SMILES: Cc1nc(cn1CCO)[N+](=O)[O-]

CAS 705-19-1
Molecular Weight (g/mol) 171.15
SMILES Cc1nc(cn1CCO)[N+](=O)[O-]
Synonym 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethanol,Metronidazole Imp. E (EP),2-Methyl-4-nitro-1H-imidazole-1-ethanol,2-Methyl-4-nitroimidazole-1-ethanol,1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole,Isometronidazole,Izoklion,Mizonidazole,RP 8979,SC-16427
IUPAC Name 2-(2-methyl-4-nitroimidazol-1-yl)ethanol
Molecular Formula C6 H9 N3 O3
7

Carnidazole, TRC

CAS: 42116-76-7 Molecular Formula: C8 H12 N4 O3 S Molecular Weight (g/mol): 244.27 Synonym: N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]carbamothioic Acid O-Methyl Ester,Carbamothioic acid, [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-, O-methyl ester (9CI),Carnidazole,Me 108,NSC 293873,R 25831,Spartrix IUPAC Name: O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate SMILES: COC(=S)NCCn1c(C)ncc1[N+](=O)[O-]

CAS 42116-76-7
Molecular Weight (g/mol) 244.27
SMILES COC(=S)NCCn1c(C)ncc1[N+](=O)[O-]
Synonym N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]carbamothioic Acid O-Methyl Ester,Carbamothioic acid, [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-, O-methyl ester (9CI),Carnidazole,Me 108,NSC 293873,R 25831,Spartrix
IUPAC Name O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate
Molecular Formula C8 H12 N4 O3 S
8

Alpidem, TRC

CAS: 82626-01-5 Molecular Formula: C21 H23 Cl2 N3 O Molecular Weight (g/mol): 404.33 IUPAC Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide SMILES: CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3

CAS 82626-01-5
Molecular Weight (g/mol) 404.33
SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3
IUPAC Name 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
Molecular Formula C21 H23 Cl2 N3 O
9

Metronidazole, TRC

CAS: 443-48-1 Molecular Formula: C6 H9 N3 O3 Molecular Weight (g/mol): 171.15 Synonym: Metronidazole,Metronidazole Benzoate Imp. A (EP),2-Methyl-5-nitro-1H-imidazole-1-ethanol,1-(β-Hydroxyethyl)-2-methyl-5-nitroimidazole,1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole,1-Hydroxyethyl-2-methyl-5-nitroimidazole,2-Methyl-5-nitroimidazole-1-ethanol,Anagiardil,Arilin,Bayer 5360,Cimetrol 500LPCI,Clont,Deflamon,Efloran,Elyzol,Entizol,Flagesol,Flagil,Flagyl,Fossyol,Gineflavir,Klion,Klont,Medazol,Metro Cream & Gel,MetroGel,Metrogyl,Metrolag,Metrolyl,Metron,Metronidazol,Metropol,Metrotop,Mexibol,NSC 50364,NSC 69587,Nidazole,Noritate,Orvagil,Protostat,RP 8823,Rathimed,Sanatrichom,Satric,Takimetol,Trichazol,Tricho Cordes,Tricho-Gynaedron,Trichobrol,Trichocide,Trichomol,Trichopal,Tricocet,Trikhopol,Trivazol,Vagilen,Vagimid,Zadstat IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: Cc1ncc([N+](=O)[O-])n1CCO

CAS 443-48-1
Molecular Weight (g/mol) 171.15
SMILES Cc1ncc([N+](=O)[O-])n1CCO
Synonym Metronidazole,Metronidazole Benzoate Imp. A (EP),2-Methyl-5-nitro-1H-imidazole-1-ethanol,1-(β-Hydroxyethyl)-2-methyl-5-nitroimidazole,1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole,1-Hydroxyethyl-2-methyl-5-nitroimidazole,2-Methyl-5-nitroimidazole-1-ethanol,Anagiardil,Arilin,Bayer 5360,Cimetrol 500LPCI,Clont,Deflamon,Efloran,Elyzol,Entizol,Flagesol,Flagil,Flagyl,Fossyol,Gineflavir,Klion,Klont,Medazol,Metro Cream & Gel,MetroGel,Metrogyl,Metrolag,Metrolyl,Metron,Metronidazol,Metropol,Metrotop,Mexibol,NSC 50364,NSC 69587,Nidazole,Noritate,Orvagil,Protostat,RP 8823,Rathimed,Sanatrichom,Satric,Takimetol,Trichazol,Tricho Cordes,Tricho-Gynaedron,Trichobrol,Trichocide,Trichomol,Trichopal,Tricocet,Trikhopol,Trivazol,Vagilen,Vagimid,Zadstat
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
Molecular Formula C6 H9 N3 O3
10

Hydroxy Dimetridazole, TRC

CAS: 936-05-0 Molecular Formula: C5 H7 N3 O3 Molecular Weight (g/mol): 157.127 Synonym: (1-Methyl-5-nitroimidazol-2-yl)methanol,Imidazole-2-methanol, 1-methyl-5-nitro- (7CI,8CI),1-Methyl-5-nitro-1H-imidazole-2-methanol,(1-Methyl-5-nitro-1H-imidazol-2-yl)-methanol,1-Methyl-2-hydroxymethyl-5-nitroimidazole,1-Methyl-5-nitro-2-imidazolemethanol,2-Hydroxymethyl-1-methyl-5-nitroimidazole,Hydroxydimetridazole IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methanol SMILES: Cn1c(CO)ncc1[N+](=O)[O-]

CAS 936-05-0
Molecular Weight (g/mol) 157.127
SMILES Cn1c(CO)ncc1[N+](=O)[O-]
Synonym (1-Methyl-5-nitroimidazol-2-yl)methanol,Imidazole-2-methanol, 1-methyl-5-nitro- (7CI,8CI),1-Methyl-5-nitro-1H-imidazole-2-methanol,(1-Methyl-5-nitro-1H-imidazol-2-yl)-methanol,1-Methyl-2-hydroxymethyl-5-nitroimidazole,1-Methyl-5-nitro-2-imidazolemethanol,2-Hydroxymethyl-1-methyl-5-nitroimidazole,Hydroxydimetridazole
IUPAC Name (1-methyl-5-nitroimidazol-2-yl)methanol
Molecular Formula C5 H7 N3 O3
11

CJ-023423, TRC

CAS: 415903-37-6 Molecular Formula: C26H29N5O3S Molecular Weight (g/mol): 491.61 IUPAC Name: 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea SMILES: CCc1nc2c(C)nc(C)cc2n1c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(C)cc4)cc3

CAS 415903-37-6
Molecular Weight (g/mol) 491.61
SMILES CCc1nc2c(C)nc(C)cc2n1c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(C)cc4)cc3
IUPAC Name 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
Molecular Formula C26H29N5O3S
12

Ipronidazole-d3, TRC

CAS: 1015855-83-0 Molecular Formula: C7 2H3 H8 N3 O2 Molecular Weight (g/mol): 172.2 Synonym: 1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro- (ACI),1-(Methyl-d3)-2-(1-methylethyl)-5-nitro-1H-imidazole (ACI),Ipronidazole D3,Ipronidazole-D3 (N-methyl-D3),Ipronidazole-d3 IUPAC Name: 5-nitro-2-propan-2-yl-1-(trideuteriomethyl)imidazole SMILES: [2H]C([2H])([2H])n1c(ncc1[N+](=O)[O-])C(C)C

CAS 1015855-83-0
Molecular Weight (g/mol) 172.2
SMILES [2H]C([2H])([2H])n1c(ncc1[N+](=O)[O-])C(C)C
Synonym 1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro- (ACI),1-(Methyl-d3)-2-(1-methylethyl)-5-nitro-1H-imidazole (ACI),Ipronidazole D3,Ipronidazole-D3 (N-methyl-D3),Ipronidazole-d3
IUPAC Name 5-nitro-2-propan-2-yl-1-(trideuteriomethyl)imidazole
Molecular Formula C7 2H3 H8 N3 O2
13

1-Methylimidazole, TRC

CAS: 616-47-7 Molecular Weight (g/mol): 82.1 SMILES: Cn1ccnc1

CAS 616-47-7
Molecular Weight (g/mol) 82.1
SMILES Cn1ccnc1
14

Hydroxy Ipronidazole, TRC

CAS: 35175-14-5 Molecular Formula: C7 H11 N3 O3 Molecular Weight (g/mol): 185.18 Synonym: α,α,1-Trimethyl-5-nitro-1H-imidazole-2-methanol,1,α,α-Trimethyl-5-nitroimidiazole-2-methanol,1-Methyl-2-(2'-hydroxyisopropyl)-5-nitroimidazole,2-(1-Hydroxy-1-methylethyl)-1-methyl-5-nitroimidazole,Hydroxyipronidazole,Ipronidazole-OH,L 12407,Ipronidazole-hydroxy IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol SMILES: Cn1c(cnc1C(C)(C)O)[N+](=O)[O-]

CAS 35175-14-5
Molecular Weight (g/mol) 185.18
SMILES Cn1c(cnc1C(C)(C)O)[N+](=O)[O-]
Synonym α,α,1-Trimethyl-5-nitro-1H-imidazole-2-methanol,1,α,α-Trimethyl-5-nitroimidiazole-2-methanol,1-Methyl-2-(2'-hydroxyisopropyl)-5-nitroimidazole,2-(1-Hydroxy-1-methylethyl)-1-methyl-5-nitroimidazole,Hydroxyipronidazole,Ipronidazole-OH,L 12407,Ipronidazole-hydroxy
IUPAC Name 2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol
Molecular Formula C7 H11 N3 O3
15

Desbutyl Bumetanide, TRC

CAS: 28328-54-3 Molecular Formula: C13 H12 N2 O5 S Molecular Weight (g/mol): 308.31 Synonym: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-phenoxy-,Benzoic acid, 3-amino-4-phenoxy-5-sulfamoyl- (8CI),3-Amino-4-phenoxy-5-sulfamoylbenzoic acid,Desbutylbumetanide,PF 1578 IUPAC Name: 3-amino-4-phenoxy-5-sulfamoylbenzoic acid SMILES: Nc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O

CAS 28328-54-3
Molecular Weight (g/mol) 308.31
SMILES Nc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O
Synonym Benzoic acid, 3-amino-5-(aminosulfonyl)-4-phenoxy-,Benzoic acid, 3-amino-4-phenoxy-5-sulfamoyl- (8CI),3-Amino-4-phenoxy-5-sulfamoylbenzoic acid,Desbutylbumetanide,PF 1578
IUPAC Name 3-amino-4-phenoxy-5-sulfamoylbenzoic acid
Molecular Formula C13 H12 N2 O5 S