2-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C18H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C18H16N4O |
| Smiles | O=C(Cn1c(cccc2)c2nc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16N4O/c23-18(13-22-14-19-16-10-4-5-11-17(16)22)21-20-12-6-9-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,21,23) |
| InChIK | MIIJQDAEYIHGCN-UHFFFAOYSA-N |
| TotalMolweight | 304.352 |
| Molweight | 304.352 |
| MonoisotopicMass | 304.132411 |
| CLogP | 2.4469 |
| CLogS | -3.354 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.81 |
| Relative PSA | 0.21556 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.3731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| 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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