4AU
Summary
| Name: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone |
| Formula: | C12 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 211.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone |
| OpenEye OEToolkits | 1.9.2 | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2nc1ccccc1n2)c3cccn3 |
| InChI | InChI | 1.03 | InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15) |
| InChIKey | InChI | 1.03 | WKGKIJSPPFRZEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(c1[nH]ccc1)c2[nH]c3ccccc3n2 |
| SMILES | CACTVS | 3.385 | O=C(c1[nH]ccc1)c2[nH]c3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3 |
