3VS
Summary
| Name: | 4-(1H-imidazol-1-yl)benzamide |
| Formula: | C10 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 187.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-imidazol-1-yl)benzamide |
| OpenEye OEToolkits | 1.9.2 | 4-imidazol-1-ylbenzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1)n2ccnc2)N |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14) |
| InChIKey | InChI | 1.03 | VEKNMVRNEBNHNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)N)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)N)n2ccnc2 |
