2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole
Formula:C23H16N2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole |
| MolecularFormula | C23H16N2ClF3 |
| Smiles | FC(c1cccc(Cn2c(cccc3)c3nc2/C=C/c(cc2)ccc2Cl)c1)(F)F |
| InChI | InChI=1S/C23H16ClF3N2/c24-19-11-8-16(9-12-19)10-13-22-28-20-6-1-2-7-21(20)29(22)15-17-4-3-5-18(14-17)23(25,26)27/h1-14H,15H2 |
| InChIK | JRZVCVCCYKZXPM-UHFFFAOYSA-N |
| TotalMolweight | 412.841 |
| Molweight | 412.841 |
| MonoisotopicMass | 412.095409 |
| CLogP | 6.3003 |
| CLogS | -5.214 |
| H Acceptors | 2 |
| TotalSurfaceArea | 300.48 |
| Relative PSA | 0.059372 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | -5.1132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole
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