2-(benzimidazol-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H20N4O2 |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H20N4O2/c28-23(15-27-17-24-21-11-4-5-12-22(21)27)26-25-14-19-9-6-10-20(13-19)29-16-18-7-2-1-3-8-18/h1-14,17H,15-16H2,(H,26,28) |
| InChIK | PNCPIXHIVOGJQE-UHFFFAOYSA-N |
| TotalMolweight | 384.438 |
| Molweight | 384.438 |
| MonoisotopicMass | 384.158626 |
| CLogP | 3.7767 |
| CLogS | -4.403 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.83 |
| Relative PSA | 0.2081 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.9999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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