A7M
Summary
| Name: | {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol |
| Formula: | C17 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 266.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol |
| OpenEye OEToolkits | 2.0.6 | [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(Cn1c(CO)nc2ccccc12)cc(C)ccc3C |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | RZRPPZWEPMDGEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C |
