2ZY
Summary
| Name: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one |
| Formula: | C13 H9 F5 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 320.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one |
| OpenEye OEToolkits | 1.7.6 | (5Z)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-methyl-3-[2,2,2-tris(fluoranyl)ethyl]imidazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\N=C(N1CC(F)(F)F)C)=C\c2cc(F)c(O)c(F)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4- |
| InChIKey | InChI | 1.03 | AWYCLBWNRONMQC-WMZJFQQLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1CC(F)(F)F |
| SMILES | CACTVS | 3.385 | CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(F)(F)F |
