(5E)-5-benzylidene-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one
Formula:C29H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-benzylidene-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one is not a drug-like molecule.
| MolName | (5E)-5-benzylidene-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one |
| MolecularFormula | C29H20N4OS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C\c2ccccc2)N1c1nc(ccc(Sc2ccccc2)c2)c2[nH]1 |
| InChI | InChI=1S/C29H20N4OS/c34-28-26(18-20-10-4-1-5-11-20)30-27(21-12-6-2-7-13-21)33(28)29-31-24-17-16-23(19-25(24)32-29)35-22-14-8-3-9-15-22/h1-19H,(H,31,32) |
| InChIK | IJMYIRKSOBTAKJ-UHFFFAOYSA-N |
| TotalMolweight | 472.571 |
| Molweight | 472.571 |
| MonoisotopicMass | 472.135781 |
| CLogP | 5.9866 |
| CLogS | -7.534 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.19 |
| Relative PSA | 0.19863 |
| PolarSurfaceArea | 86.65 |
| Druglikeness | 4.1036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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