38E
Summary
| Name: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one |
| Formula: | C12 H10 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 252.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one |
| OpenEye OEToolkits | 1.9.2 | (5Z)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2,3-dimethyl-imidazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\N=C(N1C)C)=C\c2cc(F)c(O)c(F)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5- |
| InChIKey | InChI | 1.03 | ZDDIJYXDUBFLID-YHYXMXQVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=NC(=C/c2cc(F)c(O)c(F)c2)\C1=O)C |
| SMILES | CACTVS | 3.385 | CN1C(=NC(=Cc2cc(F)c(O)c(F)c2)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1C |
