2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole
Formula:C16H12N4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole |
| MolecularFormula | C16H12N4 |
| Smiles | C(c1nc(cccc2)c2[nH]1)=C/c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C16H12N4/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,17,18)(H,19,20) |
| InChIK | OLUOIVJKRJJSKM-UHFFFAOYSA-N |
| TotalMolweight | 260.299 |
| Molweight | 260.299 |
| MonoisotopicMass | 260.106196 |
| CLogP | 2.8448 |
| CLogS | -2.742 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 205.38 |
| Relative PSA | 0.24306 |
| PolarSurfaceArea | 57.36 |
| Druglikeness | 0.034012 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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