2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-amine
Formula:C15H12N3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-amine is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-amine |
| MolecularFormula | C15H12N3Cl |
| Smiles | Nc(cc1)cc2c1nc(/C=C/c(cc1)ccc1Cl)[nH]2 |
| InChI | InChI=1S/C15H12ClN3/c16-11-4-1-10(2-5-11)3-8-15-18-13-7-6-12(17)9-14(13)19-15/h1-9H,17H2,(H,18,19) |
| InChIK | DXHHQXNJULVHPN-UHFFFAOYSA-N |
| TotalMolweight | 269.734 |
| Molweight | 269.734 |
| MonoisotopicMass | 269.071974 |
| CLogP | 3.2844 |
| CLogS | -4.059 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 206.39 |
| Relative PSA | 0.19492 |
| PolarSurfaceArea | 54.7 |
| Druglikeness | 0.10151 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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