PQP
Summary
| Name: | 4-(1H-imidazol-1-yl)benzoic acid |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-imidazol-1-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-imidazol-1-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cn(cn1)c2ccc(C(O)=O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14) |
| InChIKey | InChI | 1.03 | LFIDZIWWYNTQOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)n2ccnc2 |
