A1CVC
Summary
| Name: | 1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one |
| Formula: | C11 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 186.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(4-imidazol-1-ylphenyl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)c1ccc(cc1)n1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3 |
| InChIKey | InChI | 1.06 | GAIQQJIMVVUTQN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)n2ccnc2 |
