W0D
Summary
| Name: | N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide |
| Formula: | C13 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(CNC(=O)c1ccco1)nc3ccccc23 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16) |
| InChIKey | InChI | 1.03 | WFEIYWNIMQWEHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1[nH]c2ccccc2n1)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1[nH]c2ccccc2n1)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 |
