(5Z)-3-[(4-chlorophenyl)methyl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
Formula:C21H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one |
| MolecularFormula | C21H15N2OClS |
| Smiles | O=C1N(Cc(cc2)ccc2Cl)C(c2ccccc2)=N/C1=C\c1cccs1 |
| InChI | InChI=1S/C21H15ClN2OS/c22-17-10-8-15(9-11-17)14-24-20(16-5-2-1-3-6-16)23-19(21(24)25)13-18-7-4-12-26-18/h1-13H,14H2 |
| InChIK | OTPAUJGEHCKUGH-UHFFFAOYSA-N |
| TotalMolweight | 378.882 |
| Molweight | 378.882 |
| MonoisotopicMass | 378.05936 |
| CLogP | 4.5919 |
| CLogS | -5.49 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.13 |
| Relative PSA | 0.17299 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 5.6501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| 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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