1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
Formula:C22H15N2Cl2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole is not a drug-like molecule.
| MolName | 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole |
| MolecularFormula | C22H15N2Cl2F |
| Smiles | Fc1cccc(Cl)c1Cn1c(cccc2)c2nc1/C=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C22H15Cl2FN2/c23-17-7-2-1-6-15(17)12-13-22-26-20-10-3-4-11-21(20)27(22)14-16-18(24)8-5-9-19(16)25/h1-13H,14H2 |
| InChIK | CANABVIQUINUCW-UHFFFAOYSA-N |
| TotalMolweight | 397.279 |
| Molweight | 397.279 |
| MonoisotopicMass | 396.05963 |
| CLogP | 6.1588 |
| CLogS | -5.486 |
| H Acceptors | 2 |
| TotalSurfaceArea | 292.79 |
| Relative PSA | 0.060931 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 0.73684 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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