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 |