3-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C19H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C19H18N4O |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H18N4O/c24-19(22-21-13-6-9-16-7-2-1-3-8-16)12-14-23-15-20-17-10-4-5-11-18(17)23/h1-11,13,15H,12,14H2,(H,22,24) |
| InChIK | ZIUGHJHEALPELP-UHFFFAOYSA-N |
| TotalMolweight | 318.379 |
| Molweight | 318.379 |
| MonoisotopicMass | 318.148061 |
| CLogP | 2.9013 |
| CLogS | -3.624 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.57 |
| Relative PSA | 0.20431 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.4386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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