1-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
Formula:C22H17N2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole is not a drug-like molecule.
| MolName | 1-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole |
| MolecularFormula | C22H17N2Cl |
| Smiles | Clc1c(/C=C/c2nc(cccc3)c3n2Cc2ccccc2)cccc1 |
| InChI | InChI=1S/C22H17ClN2/c23-19-11-5-4-10-18(19)14-15-22-24-20-12-6-7-13-21(20)25(22)16-17-8-2-1-3-9-17/h1-15H,16H2 |
| InChIK | GHKCVSVRDTUOQS-UHFFFAOYSA-N |
| TotalMolweight | 344.844 |
| Molweight | 344.844 |
| MonoisotopicMass | 344.108025 |
| CLogP | 5.452 |
| CLogS | -4.436 |
| H Acceptors | 2 |
| TotalSurfaceArea | 271.02 |
| Relative PSA | 0.065825 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 2.0768 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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