(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Formula:C23H16N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C23H16N2OCl2 |
| Smiles | O=C1N(Cc(cc2)ccc2Cl)C(c2ccccc2)=N/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16Cl2N2O/c24-19-10-6-16(7-11-19)14-21-23(28)27(15-17-8-12-20(25)13-9-17)22(26-21)18-4-2-1-3-5-18/h1-14H,15H2 |
| InChIK | MUMXNJGSDQNTOL-UHFFFAOYSA-N |
| TotalMolweight | 407.299 |
| Molweight | 407.299 |
| MonoisotopicMass | 406.063967 |
| CLogP | 5.3313 |
| CLogS | -6.216 |
| H Acceptors | 3 |
| TotalSurfaceArea | 299.61 |
| Relative PSA | 0.093789 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 4.2643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off