2O0
Summary
| Name: | 3-(1H-benzimidazol-1-yl)propanamide |
| Formula: | C10 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 189.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-benzimidazol-1-yl)propanamide |
| OpenEye OEToolkits | 1.7.6 | 3-(benzimidazol-1-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)CCn1c2ccccc2nc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14) |
| InChIKey | InChI | 1.03 | UTOCMNYFMMLILL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCn1cnc2ccccc12 |
| SMILES | CACTVS | 3.385 | NC(=O)CCn1cnc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ncn2CCC(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ncn2CCC(=O)N |
