Organoheterocyclic compounds
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5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, 98%
CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
| PubChem CID | 17513 |
|---|---|
| CAS | 2627-69-2 |
| Molecular Weight (g/mol) | 258.23 |
| ChEBI | CHEBI:28498 |
| MDL Number | MFCD00869751 |
| SMILES | NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Synonym | acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara |
| IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide |
| InChI Key | RTRQQBHATOEIAF-UUOKFMHZSA-N |
| Molecular Formula | C9H14N4O5 |
N-Butylimidazole, 98%
CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1
| PubChem CID | 61347 |
|---|---|
| CAS | 4316-42-1 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00042753 |
| SMILES | CCCCN1C=CN=C1 |
| Synonym | 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl |
| IUPAC Name | 1-butyl-1H-imidazole |
| InChI Key | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
Imidazole-4-carboxaldehyde, 97%
CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O
| PubChem CID | 76428 |
|---|---|
| CAS | 3034-50-2 |
| Molecular Weight (g/mol) | 96.089 |
| MDL Number | MFCD00173726 |
| SMILES | C1=C(NC=N1)C=O |
| Synonym | 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde |
| IUPAC Name | 1H-imidazole-5-carbaldehyde |
| InChI Key | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O |
4-Imidazoleacetic acid hydrochloride, 98%
CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1
| PubChem CID | 145685 |
|---|---|
| CAS | 3251-69-2 |
| Molecular Weight (g/mol) | 162.57 |
| MDL Number | MFCD00012698 |
| SMILES | Cl.OC(=O)CC1=CN=CN1 |
| Synonym | 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao |
| IUPAC Name | 2-(1H-imidazol-5-yl)acetic acid;hydrochloride |
| InChI Key | MWHLCFYPFGFBQO-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN2O2 |
1-n-Butyl-2,3-dimethylimidazolium tetrafluoroborate, 99%
CAS: 402846-78-0 Molecular Formula: C9H17BF4N2 Molecular Weight (g/mol): 240.05 MDL Number: MFCD03427618 InChI Key: VCAIYEJBOWHUGP-UHFFFAOYSA-N Synonym: 1-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-n-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-butyl-2,3-dimethylimidazol-1-ium tetrafluoroborate,3-butyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,bdmim bf4,acmc-209jcq,dsstox_cid_27885,dsstox_rid_82638,dsstox_gsid_47909,ksc235m3b PubChem CID: 2734244 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1C
| PubChem CID | 2734244 |
|---|---|
| CAS | 402846-78-0 |
| Molecular Weight (g/mol) | 240.05 |
| MDL Number | MFCD03427618 |
| SMILES | F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1C |
| Synonym | 1-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-n-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-butyl-2,3-dimethylimidazol-1-ium tetrafluoroborate,3-butyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,bdmim bf4,acmc-209jcq,dsstox_cid_27885,dsstox_rid_82638,dsstox_gsid_47909,ksc235m3b |
| IUPAC Name | 1-butyl-2,3-dimethylimidazol-3-ium;tetrafluoroborate |
| InChI Key | VCAIYEJBOWHUGP-UHFFFAOYSA-N |
| Molecular Formula | C9H17BF4N2 |
2-Phenylbenzimidazole-5-sulfonic acid monohydrate, 98%
CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.29 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 SMILES: OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1
| PubChem CID | 33919 |
|---|---|
| CAS | 27503-81-7 |
| Molecular Weight (g/mol) | 274.29 |
| MDL Number | MFCD00053007 |
| SMILES | OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1 |
| Synonym | ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid |
| InChI Key | UVCJGUGAGLDPAA-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O3S |
4-Nitroimidazole, 97%
CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1
| PubChem CID | 18208 |
|---|---|
| CAS | 3034-38-6 |
| Molecular Weight (g/mol) | 113.08 |
| ChEBI | CHEBI:64635 |
| MDL Number | MFCD00005196 |
| SMILES | [O-][N+](=O)C1=CN=CN1 |
| Synonym | 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole |
| IUPAC Name | 5-nitro-1H-imidazole |
| InChI Key | VYDWQPKRHOGLPA-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3O2 |
Candesartan, 98%
CAS: 139481-59-7 Molecular Formula: C24H20N6O3 Molecular Weight (g/mol): 440.463 MDL Number: MFCD00081076 InChI Key: HTQMVQVXFRQIKW-UHFFFAOYSA-N Synonym: candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn PubChem CID: 2541 ChEBI: CHEBI:3347 IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
| PubChem CID | 2541 |
|---|---|
| CAS | 139481-59-7 |
| Molecular Weight (g/mol) | 440.463 |
| ChEBI | CHEBI:3347 |
| MDL Number | MFCD00081076 |
| SMILES | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O |
| Synonym | candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn |
| IUPAC Name | 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid |
| InChI Key | HTQMVQVXFRQIKW-UHFFFAOYSA-N |
| Molecular Formula | C24H20N6O3 |
1-Octyl-3-methylimidazolium hexafluorophosphate, 98+%
CAS: 304680-36-2 Molecular Formula: C12H23F6N2P Molecular Weight (g/mol): 340.29 MDL Number: MFCD03427617 InChI Key: GRCIJNHHTXBJAK-UHFFFAOYSA-N Synonym: 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l PubChem CID: 2734243 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1
| PubChem CID | 2734243 |
|---|---|
| CAS | 304680-36-2 |
| Molecular Weight (g/mol) | 340.29 |
| MDL Number | MFCD03427617 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l |
| IUPAC Name | 1-methyl-3-octylimidazol-1-ium;hexafluorophosphate |
| InChI Key | GRCIJNHHTXBJAK-UHFFFAOYSA-N |
| Molecular Formula | C12H23F6N2P |
1-(Trifluoroacetyl)imidazole, 98+%
CAS: 1546-79-8 Molecular Formula: C5H3F3N2O Molecular Weight (g/mol): 164.087 MDL Number: MFCD00014501 InChI Key: SINBGNJPYWNUQI-UHFFFAOYSA-N Synonym: 1-trifluoroacetyl imidazole,n-trifluoroacetylimidazole,1-trifluoroacetyl-1h-imidazole,1h-imidazole, 1-trifluoroacetyl,unii-8c6041ow3i,tfai,2,2,2-trifluoro-1-1h-imidazol-1-yl ethanone,n-trifluoroacetyl imidazole,2,2,2-trifluoro-1-imidazol-1-yl ethanone,2,2,2-trifluoro-1-1h-imidazol-1-yl ethan-1-one PubChem CID: 73767 IUPAC Name: 2,2,2-trifluoro-1-imidazol-1-ylethanone SMILES: C1=CN(C=N1)C(=O)C(F)(F)F
| PubChem CID | 73767 |
|---|---|
| CAS | 1546-79-8 |
| Molecular Weight (g/mol) | 164.087 |
| MDL Number | MFCD00014501 |
| SMILES | C1=CN(C=N1)C(=O)C(F)(F)F |
| Synonym | 1-trifluoroacetyl imidazole,n-trifluoroacetylimidazole,1-trifluoroacetyl-1h-imidazole,1h-imidazole, 1-trifluoroacetyl,unii-8c6041ow3i,tfai,2,2,2-trifluoro-1-1h-imidazol-1-yl ethanone,n-trifluoroacetyl imidazole,2,2,2-trifluoro-1-imidazol-1-yl ethanone,2,2,2-trifluoro-1-1h-imidazol-1-yl ethan-1-one |
| IUPAC Name | 2,2,2-trifluoro-1-imidazol-1-ylethanone |
| InChI Key | SINBGNJPYWNUQI-UHFFFAOYSA-N |
| Molecular Formula | C5H3F3N2O |
1,3-Diisopropylimidazolium chloride, 97+%
CAS: 139143-09-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.70 MDL Number: MFCD03840577 InChI Key: DOFXKPAOJLLPII-UHFFFAOYSA-M Synonym: 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride PubChem CID: 11229242 IUPAC Name: 1,3-di(propan-2-yl)imidazol-1-ium;chloride SMILES: [Cl-].CC(C)N1C=C[N+](=C1)C(C)C
| PubChem CID | 11229242 |
|---|---|
| CAS | 139143-09-2 |
| Molecular Weight (g/mol) | 188.70 |
| MDL Number | MFCD03840577 |
| SMILES | [Cl-].CC(C)N1C=C[N+](=C1)C(C)C |
| Synonym | 1,3-diisopropylimidazolium chloride,1,3-di-i-propylimidazolium chloride,1,3-diisopropyl-1h-imidazol-3-ium chloride,1,3-diisopropylimidazol-1-ium chloride,diic,acmc-20ap45,n,n'-isopropyl imidazolium chloride,1h-imidazolium,1,3-bis 1-methylethyl-, chloride 1:1,n,n inverted exclamation marka-isopropyl imidazolium chloride |
| IUPAC Name | 1,3-di(propan-2-yl)imidazol-1-ium;chloride |
| InChI Key | DOFXKPAOJLLPII-UHFFFAOYSA-M |
| Molecular Formula | C9H17ClN2 |
1-Ethyl-3-methylimidazolium tetrafluoroborate, 98+% (dry wt.), may cont. up to 3% water
CAS: 143314-16-3 Molecular Formula: C6H11BF4N2 Molecular Weight (g/mol): 197.97 MDL Number: MFCD00216668 InChI Key: CUNYTRQQXKCRTJ-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate PubChem CID: 2769348 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1
| PubChem CID | 2769348 |
|---|---|
| CAS | 143314-16-3 |
| Molecular Weight (g/mol) | 197.97 |
| MDL Number | MFCD00216668 |
| SMILES | F[B-](F)(F)F.CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate |
| InChI Key | CUNYTRQQXKCRTJ-UHFFFAOYSA-N |
| Molecular Formula | C6H11BF4N2 |
1-Allylimidazole, 97%
CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1
| PubChem CID | 35794 |
|---|---|
| CAS | 31410-01-2 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00037894 |
| SMILES | C=CCN1C=CN=C1 |
| Synonym | 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # |
| IUPAC Name | 1-prop-2-enylimidazole |
| InChI Key | XLXCHZCQTCBUOX-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
| Physical Form | Liquid |
|---|---|
| Chemical Name or Material | 1-Methylimidazole/Acetonitrile (20/80, v/v) |
| Density | 0.787g/cm3 (at 20°C) |
| Percent Purity | 79.0 to 81.0% (v/v) |
| CAS | 75-05-8 |
| Health Hazard 2 | H225: Highly flammable liquid and vapor, H302 + H332: Harmful if swallowed or if inhaled. |
| Packaging | Glass bottle (pre-packed, 38/430) |
| Flash Point | 5.5°C |
| Health Hazard 1 | Corrosive |
| Synonym | DNA |
| Recommended Storage | Store below 30°C |
| Molecular Formula | CH3-C3H3N2 in CH3CN |
| Formula Weight | Mixture |
| Odor | Solvent odor |