N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C25H20N4O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C25H20N4O |
| Smiles | C(c1cccc2ccccc12)Oc1c(/C=N\Nc2nc(cccc3)c3[nH]2)cccc1 |
| InChI | InChI=1S/C25H20N4O/c1-3-12-21-18(8-1)10-7-11-20(21)17-30-24-15-6-2-9-19(24)16-26-29-25-27-22-13-4-5-14-23(22)28-25/h1-16H,17H2,(H2,27,28,29) |
| InChIK | NYJQPSYSWDFHCO-UHFFFAOYSA-N |
| TotalMolweight | 392.461 |
| Molweight | 392.461 |
| MonoisotopicMass | 392.163711 |
| CLogP | 7.3525 |
| CLogS | -6.578 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 310.29 |
| Relative PSA | 0.1867 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 2.6036 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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