4FF
Summary
| Name: | 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID |
| Formula: | C11 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2nc(c1ccccc1)nc2C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1[nH]c(nc1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.352 | Cc1[nH]c(nc1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1c(nc([nH]1)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1c(nc([nH]1)c2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | NEDPOZZCAYIDNP-UHFFFAOYSA-N |
