V95
Summary
| Name: | methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate |
| Synonyms: | Mebendazole 4030 |
| Formula: | C16 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 295.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl ~{N}-[6-(phenylcarbonyl)-1~{H}-benzimidazol-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) |
| InChIKey | InChI | 1.03 | OPXLLQIJSORQAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 |
