Q8G
Summary
| Name: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid |
| Formula: | C14 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-cyclohexylbenzimidazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18) |
| InChIKey | InChI | 1.03 | VDTQDVBTYFQIPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2n(cnc2c1)C3CCCCC3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2n(cnc2c1)C3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)ncn2C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)ncn2C3CCCCC3 |
