(E)-2-(1H-benzimidazol-2-yl)-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]ethanimine
Formula:C21H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]ethanimine is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]ethanimine |
| MolecularFormula | C21H17N5 |
| Smiles | C(/C(/c1ccccc1)=N/N=C/c1cccnc1)c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C21H17N5/c1-2-8-17(9-3-1)20(26-23-15-16-7-6-12-22-14-16)13-21-24-18-10-4-5-11-19(18)25-21/h1-12,14-15H,13H2,(H,24,25) |
| InChIK | AANNNEKCLSQYHI-UHFFFAOYSA-N |
| TotalMolweight | 339.401 |
| Molweight | 339.401 |
| MonoisotopicMass | 339.148395 |
| CLogP | 4.6536 |
| CLogS | -4.327 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.96 |
| Relative PSA | 0.21362 |
| PolarSurfaceArea | 66.29 |
| Druglikeness | 2.853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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