Organoheterocyclic compounds
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1,2-Dimethyl-5-nitroimidazole 97.0+%, TCI America™
CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitro-1H-imidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O
| PubChem CID | 3090 |
|---|---|
| CAS | 551-92-8 |
| Molecular Weight (g/mol) | 141.13 |
| MDL Number | MFCD00047046 |
| SMILES | CN1C(C)=NC=C1[N+]([O-])=O |
| Synonym | dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo |
| IUPAC Name | 1,2-dimethyl-5-nitro-1H-imidazole |
| InChI Key | IBXPYPUJPLLOIN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O2 |
1-Methyl-3-propylimidazolium Iodide 97.0+%, TCI America™
CAS: 119171-18-5 Molecular Formula: C7H13IN2 Molecular Weight (g/mol): 252.10 MDL Number: MFCD08276385 InChI Key: IVCMUVGRRDWTDK-UHFFFAOYSA-M Synonym: 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide PubChem CID: 12971008 IUPAC Name: 3-methyl-1-propyl-1H-imidazol-3-ium iodide SMILES: [I-].CCCN1C=C[N+](C)=C1
| PubChem CID | 12971008 |
|---|---|
| CAS | 119171-18-5 |
| Molecular Weight (g/mol) | 252.10 |
| MDL Number | MFCD08276385 |
| SMILES | [I-].CCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide |
| IUPAC Name | 3-methyl-1-propyl-1H-imidazol-3-ium iodide |
| InChI Key | IVCMUVGRRDWTDK-UHFFFAOYSA-M |
| Molecular Formula | C7H13IN2 |
(1-Imidazolyl)acetonitrile 98.0+%, TCI America™
CAS: 98873-55-3 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06421433 InChI Key: ZPGCVVBPGQJSPX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole PubChem CID: 11804695 IUPAC Name: 2-imidazol-1-ylacetonitrile SMILES: C1=CN(C=N1)CC#N
| PubChem CID | 11804695 |
|---|---|
| CAS | 98873-55-3 |
| Molecular Weight (g/mol) | 107.116 |
| MDL Number | MFCD06421433 |
| SMILES | C1=CN(C=N1)CC#N |
| Synonym | 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole |
| IUPAC Name | 2-imidazol-1-ylacetonitrile |
| InChI Key | ZPGCVVBPGQJSPX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3 |
1,3-Dimesitylimidazol-2-ylidene 97.0+%, TCI America™
CAS: 141556-42-5 Molecular Formula: C21H24N2 Molecular Weight (g/mol): 304.437 MDL Number: MFCD09265338 InChI Key: JCYWCSGERIELPG-UHFFFAOYSA-N Synonym: IMes PubChem CID: 11123757 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C
| PubChem CID | 11123757 |
|---|---|
| CAS | 141556-42-5 |
| Molecular Weight (g/mol) | 304.437 |
| MDL Number | MFCD09265338 |
| SMILES | CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C |
| Synonym | IMes |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide |
| InChI Key | JCYWCSGERIELPG-UHFFFAOYSA-N |
| Molecular Formula | C21H24N2 |
2,4,5-Triiodo-1H-imidazole 98.0+%, TCI America™
CAS: 1746-25-4 Molecular Formula: C3HI3N2 Molecular Weight (g/mol): 445.768 MDL Number: MFCD00068812 InChI Key: HIDCNJIBRZBEPN-UHFFFAOYSA-N PubChem CID: 74459 IUPAC Name: 2,4,5-triiodo-1H-imidazole SMILES: C1(=C(N=C(N1)I)I)I
| PubChem CID | 74459 |
|---|---|
| CAS | 1746-25-4 |
| Molecular Weight (g/mol) | 445.768 |
| MDL Number | MFCD00068812 |
| SMILES | C1(=C(N=C(N1)I)I)I |
| IUPAC Name | 2,4,5-triiodo-1H-imidazole |
| InChI Key | HIDCNJIBRZBEPN-UHFFFAOYSA-N |
| Molecular Formula | C3HI3N2 |
1-Ethyl-3-methylimidazolium Acetate 95.0+%, TCI America™
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 |
1,3-Di-tert-butylimidazol-2-ylidene 98.0+%, TCI America™
CAS: 157197-53-0 Molecular Formula: C11H20N2 Molecular Weight (g/mol): 180.30 MDL Number: MFCD03788921 InChI Key: FENRCIKTFREPGS-UHFFFAOYSA-N Synonym: ItBu PubChem CID: 10961644 IUPAC Name: 1,3-di-tert-butyl-1H-imidazol-3-ium-2-ide SMILES: CC(C)(C)N1C=C[N+](=[C-]1)C(C)(C)C
| PubChem CID | 10961644 |
|---|---|
| CAS | 157197-53-0 |
| Molecular Weight (g/mol) | 180.30 |
| MDL Number | MFCD03788921 |
| SMILES | CC(C)(C)N1C=C[N+](=[C-]1)C(C)(C)C |
| Synonym | ItBu |
| IUPAC Name | 1,3-di-tert-butyl-1H-imidazol-3-ium-2-ide |
| InChI Key | FENRCIKTFREPGS-UHFFFAOYSA-N |
| Molecular Formula | C11H20N2 |
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic Acid 98.0+%, TCI America™
CAS: 5496-35-5 Molecular Formula: C22H16N2O2 Molecular Weight (g/mol): 340.382 MDL Number: MFCD00999654 InChI Key: BCXPNUSETAZHEQ-UHFFFAOYSA-N PubChem CID: 192811 IUPAC Name: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
| PubChem CID | 192811 |
|---|---|
| CAS | 5496-35-5 |
| Molecular Weight (g/mol) | 340.382 |
| MDL Number | MFCD00999654 |
| SMILES | C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 |
| IUPAC Name | 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid |
| InChI Key | BCXPNUSETAZHEQ-UHFFFAOYSA-N |
| Molecular Formula | C22H16N2O2 |
Ganciclovir Hydrate 98.0+%, TCI America™
CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.234 MDL Number: MFCD00870588 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
| PubChem CID | 3454 |
|---|---|
| CAS | 82410-32-0 |
| Molecular Weight (g/mol) | 255.234 |
| ChEBI | CHEBI:465284 |
| MDL Number | MFCD00870588 |
| SMILES | C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N |
| Synonym | ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg |
| IUPAC Name | 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one |
| InChI Key | IRSCQMHQWWYFCW-UHFFFAOYSA-N |
| Molecular Formula | C9H13N5O4 |
1-Butyl-3-methylimidazolium Hexafluorophosphate 98.0+%, TCI America™
CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734174 |
|---|---|
| CAS | 174501-64-5 |
| Molecular Weight (g/mol) | 284.19 |
| MDL Number | MFCD03093295 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide |
| InChI Key | IXQYBUDWDLYNMA-UHFFFAOYSA-N |
| Molecular Formula | C8H15F6N2P |
1-(2-Cyanoethyl)-2-phenylimidazole 98.0+%, TCI America™
CAS: 23996-12-5 Molecular Formula: C12H11N3 Molecular Weight (g/mol): 197.24 MDL Number: MFCD00047047 InChI Key: BVYPJEBKDLFIDL-UHFFFAOYSA-N Synonym: 1-2-cyanoethyl-2-phenylimidazole,3-2-phenyl-1h-imidazol-1-yl propanenitrile,1h-imidazole-1-propanenitrile, 2-phenyl,2-phenyl-1h-imidazole-1-propiononitrile,3-2-phenylimidazol-1-yl propanenitrile,1h-imidazole-1-propanenitrile,2-phenyl,3-2-phenyl-imidazol-1-yl-propionitrile,acmc-1cmrx,2-phenyl-1h-imidazole-1-propanenitrile,3-2-phenyl-1-imidazolyl propionitrile PubChem CID: 90325 IUPAC Name: 3-(2-phenyl-1H-imidazol-1-yl)propanenitrile SMILES: N#CCCN1C=CN=C1C1=CC=CC=C1
| PubChem CID | 90325 |
|---|---|
| CAS | 23996-12-5 |
| Molecular Weight (g/mol) | 197.24 |
| MDL Number | MFCD00047047 |
| SMILES | N#CCCN1C=CN=C1C1=CC=CC=C1 |
| Synonym | 1-2-cyanoethyl-2-phenylimidazole,3-2-phenyl-1h-imidazol-1-yl propanenitrile,1h-imidazole-1-propanenitrile, 2-phenyl,2-phenyl-1h-imidazole-1-propiononitrile,3-2-phenylimidazol-1-yl propanenitrile,1h-imidazole-1-propanenitrile,2-phenyl,3-2-phenyl-imidazol-1-yl-propionitrile,acmc-1cmrx,2-phenyl-1h-imidazole-1-propanenitrile,3-2-phenyl-1-imidazolyl propionitrile |
| IUPAC Name | 3-(2-phenyl-1H-imidazol-1-yl)propanenitrile |
| InChI Key | BVYPJEBKDLFIDL-UHFFFAOYSA-N |
| Molecular Formula | C12H11N3 |
Imidazole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 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 |
| 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 |
Famciclovir 98.0+%, TCI America™
CAS: 104227-87-4 Molecular Formula: C14H19N5O4 Molecular Weight (g/mol): 321.337 MDL Number: MFCD00866964 InChI Key: GGXKWVWZWMLJEH-UHFFFAOYSA-N Synonym: 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-1,3-propanediol Diacetate PubChem CID: 3324 ChEBI: CHEBI:4974 IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate SMILES: CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C
| PubChem CID | 3324 |
|---|---|
| CAS | 104227-87-4 |
| Molecular Weight (g/mol) | 321.337 |
| ChEBI | CHEBI:4974 |
| MDL Number | MFCD00866964 |
| SMILES | CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C |
| Synonym | 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-1,3-propanediol Diacetate |
| IUPAC Name | [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate |
| InChI Key | GGXKWVWZWMLJEH-UHFFFAOYSA-N |
| Molecular Formula | C14H19N5O4 |
1-Butyl-3-methylimidazolium Trifluoroacetate 97.0+%, TCI America™
CAS: 174899-94-6 Molecular Formula: C10H15F3N2O2 Molecular Weight (g/mol): 252.237 MDL Number: MFCD08458921 InChI Key: QPDGLRRWSBZCHP-UHFFFAOYSA-M PubChem CID: 10125280 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate SMILES: CCCCN1C=C[N+](=C1)C.C(=O)(C(F)(F)F)[O-]
| PubChem CID | 10125280 |
|---|---|
| CAS | 174899-94-6 |
| Molecular Weight (g/mol) | 252.237 |
| MDL Number | MFCD08458921 |
| SMILES | CCCCN1C=C[N+](=C1)C.C(=O)(C(F)(F)F)[O-] |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate |
| InChI Key | QPDGLRRWSBZCHP-UHFFFAOYSA-M |
| Molecular Formula | C10H15F3N2O2 |