3-(benzimidazol-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
Formula:C24H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzimidazol-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]propanamide |
| MolecularFormula | C24H22N4O2 |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C24H22N4O2/c29-24(14-15-28-18-25-22-8-4-5-9-23(22)28)27-26-16-19-10-12-21(13-11-19)30-17-20-6-2-1-3-7-20/h1-13,16,18H,14-15,17H2,(H,27,29) |
| InChIK | NGQDVXCWMSSYFZ-UHFFFAOYSA-N |
| TotalMolweight | 398.465 |
| Molweight | 398.465 |
| MonoisotopicMass | 398.174276 |
| CLogP | 4.2311 |
| CLogS | -4.673 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.59 |
| Relative PSA | 0.19916 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 6.0819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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