A1AP8
Summary
| Name: | (2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol |
| Formula: | C7 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 140.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(2-methylimidazol-1-yl)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nccn1CC(O)C |
| InChI | InChI | 1.06 | InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | VUFBCWUJICCKDU-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)Cn1ccnc1C |
| SMILES | CACTVS | 3.385 | C[CH](O)Cn1ccnc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nccn1C[C@H](C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nccn1CC(C)O |
