A1CBM
Summary
| Name: | 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol |
| Formula: | C9 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 177.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-(5-azanylbenzimidazol-1-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1cc2ncn(CCO)c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2 |
| InChIKey | InChI | 1.06 | QVMFSBBGSVJINR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2n(CCO)cnc2c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2n(CCO)cnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N)ncn2CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N)ncn2CCO |
