A1COP
Summary
| Name: | (1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol |
| Formula: | C9 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 162.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R})-1-(1~{H}-benzimidazol-2-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)c1nc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | XZHWEHOSQYNGOL-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)c1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](c1[nH]c2ccccc2n1)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1[nH]c2ccccc2n1)O |
