A1CPR
Summary
| Name: | N-(4-bromophenyl)-1H-imidazole-4-carboxamide |
| Formula: | C10 H8 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 266.094 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(4-bromophenyl)-1H-imidazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(4-bromophenyl)-1~{H}-imidazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccc(Br)cc1)c1c[NH]cn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8BrN3O/c11-7-1-3-8(4-2-7)14-10(15)9-5-12-6-13-9/h1-6H,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | ATYAMKRKNGAVNG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(NC(=O)c2c[nH]cn2)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(NC(=O)c2c[nH]cn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC(=O)c2c[nH]cn2)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC(=O)c2c[nH]cn2)Br |
