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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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1 – 14 of 14 results
1

Ledipasvir (acetone), MedChemExpress

MedChemExpress Ledipasvir acetone (GS-5885 acetone) is the active ingredient of Ledipasvir. Ledipasvir is an inhibitor of the hepatitis C virus NS5A, with EC50 values of 34 pM against GT1a and 4 pM against GT1b replicon.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 947.08
Color Light Yellow
Physical Form Solid
Chemical Name or Material Ledipasvir (acetone)
Grade Research
SMILES O=C(OC)N[C@H](C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6N=C([C@H]7N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@]8([H])CC[C@@]7([H])C8)NC6=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=O)C(C)C.CC(C)=O
For Use With (Application) COVID-19-anti-virus
Percent Purity 98.24%
CAS 1441674-54-9
Solubility Information DMSO : 110 mg/mL (116.15 mM; Need ultrasonic)
Synonym GS-5885 acetone
Purity Grade Notes Research
Recommended Storage 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Shelf Life 4°C, protect from light∣In solvent : -80°C, 6 months∣-20°C, 1 month (protect from light)
Molecular Formula C52H60F2N8O7
Formula Weight 947.08
2

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

EDGE
PubChem CID 2734236
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
MDL Number MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Synonym 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula C8H15BrN2
3

1-Benzylimidazole, 99%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2
4

Ethyl 3-methyl-2-thionoimidazoline-1-carboxylate, 97%

CAS: 22232-54-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.229 MDL Number: MFCD00027421 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

PubChem CID 31072
CAS 22232-54-8
Molecular Weight (g/mol) 186.229
ChEBI CHEBI:617099
MDL Number MFCD00027421
SMILES CCOC(=O)N1C=CN(C1=S)C
Synonym carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
5

1-Ethyl-3-methylimidazolium dicyanamide, 98%

CAS: 370865-89-7 Molecular Formula: C8H11N5 Molecular Weight (g/mol): 177.211 MDL Number: MFCD08276373 InChI Key: MKHFCTXNDRMIDR-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h PubChem CID: 11159638 IUPAC Name: cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(=[N-])=NC#N

PubChem CID 11159638
CAS 370865-89-7
Molecular Weight (g/mol) 177.211
MDL Number MFCD08276373
SMILES CCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Synonym 1-ethyl-3-methylimidazolium dicyanamide,ethylmethylimidazolium dicyanamide,emim dca,acmc-209iqn,basionics™ vs 03,dsstox_cid_27940,dsstox_rid_82692,dsstox_gsid_47964,ksc221g0h
IUPAC Name cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium
InChI Key MKHFCTXNDRMIDR-UHFFFAOYSA-N
Molecular Formula C8H11N5
6

Urocanic acid, 98%

CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

PubChem CID 1549103
CAS 104-98-3
Molecular Weight (g/mol) 138.13
ChEBI CHEBI:30818
MDL Number MFCD00005203
SMILES C1=C(NC=N1)C=CC(=O)O
Synonym urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid
IUPAC Name (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key LOIYMIARKYCTBW-UPHRSURJSA-N
Molecular Formula C6H6N2O2
7

Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
8

Carbimazole, 98%, Thermo Scientific™

CAS: 22232-54-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

PubChem CID 31072
CAS 22232-54-8
Molecular Weight (g/mol) 186.23
ChEBI CHEBI:617099
SMILES CCOC(=O)N1C=CN(C1=S)C
Synonym carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
9

1-Boc-imidazole, 98%

CAS: 49761-82-2 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00014497 InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N Synonym: n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p PubChem CID: 521262 IUPAC Name: tert-butyl imidazole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CN=C1

PubChem CID 521262
CAS 49761-82-2
Molecular Weight (g/mol) 168.196
MDL Number MFCD00014497
SMILES CC(C)(C)OC(=O)N1C=CN=C1
Synonym n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p
IUPAC Name tert-butyl imidazole-1-carboxylate
InChI Key MTBKGWHHOBJMHJ-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
10

1-n-Butyl-3-methylimidazolium chloride, 96%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

PubChem CID 2734161
CAS 79917-90-1
Molecular Weight (g/mol) 174.67
MDL Number MFCD03095425
SMILES [Cl-].CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
11

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
12

1-n-Butyl-3-methylimidazolium tetrafluoroborate, 98+%

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

PubChem CID 2734178
CAS 174501-65-6
Molecular Weight (g/mol) 226.03
MDL Number MFCD03095449
SMILES F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate
InChI Key LSBXQLQATZTAPE-UHFFFAOYSA-N
Molecular Formula C8H15BF4N2
13

1-Benzylimidazole, 98+%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2