N-[(Z)-benzylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
Formula:C21H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide |
| MolecularFormula | C21H17N5O |
| Smiles | O=C(Cn1c(-c2ncccc2)nc2c1cccc2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N5O/c27-20(25-23-14-16-8-2-1-3-9-16)15-26-19-12-5-4-10-17(19)24-21(26)18-11-6-7-13-22-18/h1-14H,15H2,(H,25,27) |
| InChIK | HPNNWWPRUADGCY-UHFFFAOYSA-N |
| TotalMolweight | 355.4 |
| Molweight | 355.4 |
| MonoisotopicMass | 355.14331 |
| CLogP | 3.1617 |
| CLogS | -4.104 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.83 |
| Relative PSA | 0.23 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.0645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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