(5Z)-5-benzylidene-3-(4-bromophenyl)-2-phenylimidazol-4-one
Formula:C22H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(4-bromophenyl)-2-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(4-bromophenyl)-2-phenylimidazol-4-one |
| MolecularFormula | C22H15N2OBr |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2ccccc2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C22H15BrN2O/c23-18-11-13-19(14-12-18)25-21(17-9-5-2-6-10-17)24-20(22(25)26)15-16-7-3-1-4-8-16/h1-15H |
| InChIK | JOBAELSXTMVIEP-UHFFFAOYSA-N |
| TotalMolweight | 403.278 |
| Molweight | 403.278 |
| MonoisotopicMass | 402.036774 |
| CLogP | 4.9216 |
| CLogS | -6.1 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.64 |
| Relative PSA | 0.10269 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.2465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-benzylidene-3-(4-bromophenyl)-2-phenylimidazol-4-one | 2 - (5Z)-5-benzylidene-3-(4-bromophenyl)-2-phenylimidazol-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off