(5E)-5-[(4-fluorophenyl)methylidene]-3-[2-(furan-2-yl)-2-oxoethyl]-2-phenylimidazol-4-one
Formula:C22H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-fluorophenyl)methylidene]-3-[2-(furan-2-yl)-2-oxoethyl]-2-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-fluorophenyl)methylidene]-3-[2-(furan-2-yl)-2-oxoethyl]-2-phenylimidazol-4-one |
| MolecularFormula | C22H15N2O3F |
| Smiles | O=C(CN(C1=O)C(c2ccccc2)=N/C1=C/c(cc1)ccc1F)c1ccco1 |
| InChI | InChI=1S/C22H15FN2O3/c23-17-10-8-15(9-11-17)13-18-22(27)25(14-19(26)20-7-4-12-28-20)21(24-18)16-5-2-1-3-6-16/h1-13H,14H2 |
| InChIK | NMMYHIYEEMEJAN-UHFFFAOYSA-N |
| TotalMolweight | 374.37 |
| Molweight | 374.37 |
| MonoisotopicMass | 374.106671 |
| CLogP | 2.9506 |
| CLogS | -5.033 |
| H Acceptors | 5 |
| TotalSurfaceArea | 282.56 |
| Relative PSA | 0.19553 |
| PolarSurfaceArea | 62.88 |
| Druglikeness | 3.363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[(4-fluorophenyl)methylidene]-3-[2-(furan-2-yl)-2-oxoethyl]-2-phenylimidazol-4-one | 2 - (5E)-5-[(4-fluorophenyl)methylidene]-3-[2-(furan-2-yl)-2-oxoethyl]-2-phenylimidazol-4-one
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