6AQ
Summary
| Name: | 1-(4-fluorophenyl)-1H-imidazole |
| Formula: | C9 H7 F N2 |
| Formal charge: | 0 |
| Formula weight: | 162.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-fluorophenyl)-1H-imidazole |
| OpenEye OEToolkits | 2.0.4 | 1-(4-fluorophenyl)imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ncn(c1ccc(F)cc1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H |
| InChIKey | InChI | 1.03 | KKKSMWMXKUAZHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1n2ccnc2)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1n2ccnc2)F |
