N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C15H12N4OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C15H12N4OF2 |
| Smiles | FC(Oc1ccc(/C=N\Nc2nc(cccc3)c3[nH]2)cc1)F |
| InChI | InChI=1S/C15H12F2N4O/c16-14(17)22-11-7-5-10(6-8-11)9-18-21-15-19-12-3-1-2-4-13(12)20-15/h1-9,14H,(H2,19,20,21) |
| InChIK | PPAVQRGKXZSHAD-UHFFFAOYSA-N |
| TotalMolweight | 302.283 |
| Molweight | 302.283 |
| MonoisotopicMass | 302.097917 |
| CLogP | 4.9794 |
| CLogS | -4.253 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.37 |
| Relative PSA | 0.25478 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 0.19769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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