W0A
Summary
| Name: | N-[(1H-benzimidazol-2-yl)methyl]butanamide |
| Formula: | C12 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 217.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1H-benzimidazol-2-yl)methyl]butanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(CNC(=O)CCC)nc2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15) |
| InChIKey | InChI | 1.03 | MXDONONSXPZRMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)NCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | CCCC(=O)NCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCc1[nH]c2ccccc2n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCc1[nH]c2ccccc2n1 |
