3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C27H24N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C27H24N4O |
| Smiles | O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)nc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C27H24N4O/c32-25(30-29-19-10-13-22-11-4-1-5-12-22)18-20-31-21-28-26(23-14-6-2-7-15-23)27(31)24-16-8-3-9-17-24/h1-17,19,21H,18,20H2,(H,30,32) |
| InChIK | MNFJQEJTDNREII-UHFFFAOYSA-N |
| TotalMolweight | 420.515 |
| Molweight | 420.515 |
| MonoisotopicMass | 420.195011 |
| CLogP | 4.9623 |
| CLogS | -5.784 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.49 |
| Relative PSA | 0.15452 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.6683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide | 2 - 3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
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