N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H15N5 |
| Smiles | C(c1cccn1-c1ccccc1)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C18H15N5/c1-2-7-14(8-3-1)23-12-6-9-15(23)13-19-22-18-20-16-10-4-5-11-17(16)21-18/h1-13H,(H2,20,21,22) |
| InChIK | UXRQIYUTPLDKDJ-UHFFFAOYSA-N |
| TotalMolweight | 301.352 |
| Molweight | 301.352 |
| MonoisotopicMass | 301.132745 |
| CLogP | 5.0489 |
| CLogS | -5.968 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.13 |
| Relative PSA | 0.22726 |
| PolarSurfaceArea | 58 |
| Druglikeness | 4.5173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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