E7S
Summary
| Name: | (5,6-dimethyl-1H-benzimidazol-2-yl)methanol |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5,6-dimethyl-1H-benzimidazol-2-yl)methanol |
| OpenEye OEToolkits | 2.0.6 | (5,6-dimethyl-1~{H}-benzimidazol-2-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21c(cc(C)c(c1)C)nc(CO)n2 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | NLTYZPBQHXXZGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2[nH]c(CO)nc2cc1C |
| SMILES | CACTVS | 3.385 | Cc1cc2[nH]c(CO)nc2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)nc([nH]2)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)nc([nH]2)CO |
