2-(benzimidazol-1-yl)-N-[(Z)-benzylideneamino]acetamide
Formula:C16H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-benzylideneamino]acetamide |
| MolecularFormula | C16H14N4O |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14N4O/c21-16(19-18-10-13-6-2-1-3-7-13)11-20-12-17-14-8-4-5-9-15(14)20/h1-10,12H,11H2,(H,19,21) |
| InChIK | NRYIBPRQDNMYEY-UHFFFAOYSA-N |
| TotalMolweight | 278.314 |
| Molweight | 278.314 |
| MonoisotopicMass | 278.116761 |
| CLogP | 2.4286 |
| CLogS | -3.062 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 223.31 |
| Relative PSA | 0.24114 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.3893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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