N-[1-[(Z)-benzylideneamino]-4-phenylimidazol-2-yl]-2-(2,6-dichlorophenyl)acetamide
Formula:C24H18N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[1-[(Z)-benzylideneamino]-4-phenylimidazol-2-yl]-2-(2,6-dichlorophenyl)acetamide is not a drug-like molecule.
| MolName | N-[1-[(Z)-benzylideneamino]-4-phenylimidazol-2-yl]-2-(2,6-dichlorophenyl)acetamide |
| MolecularFormula | C24H18N4OCl2 |
| Smiles | O=C(Cc(c(Cl)ccc1)c1Cl)Nc1nc(-c2ccccc2)cn1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H18Cl2N4O/c25-20-12-7-13-21(26)19(20)14-23(31)29-24-28-22(18-10-5-2-6-11-18)16-30(24)27-15-17-8-3-1-4-9-17/h1-13,15-16H,14H2,(H,28,29,31) |
| InChIK | GDIYORNXFLBUAP-UHFFFAOYSA-N |
| TotalMolweight | 449.34 |
| Molweight | 449.34 |
| MonoisotopicMass | 448.085765 |
| CLogP | 6.0959 |
| CLogS | -9.173 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.07 |
| Relative PSA | 0.15882 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.1233 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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