1-[(3-chlorophenyl)methyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazole
Formula:C22H15N2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(3-chlorophenyl)methyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazole is not a drug-like molecule.
| MolName | 1-[(3-chlorophenyl)methyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazole |
| MolecularFormula | C22H15N2Cl3 |
| Smiles | Clc1cccc(Cn2c(cccc3)c3nc2/C=C/c(ccc(Cl)c2)c2Cl)c1 |
| InChI | InChI=1S/C22H15Cl3N2/c23-17-5-3-4-15(12-17)14-27-21-7-2-1-6-20(21)26-22(27)11-9-16-8-10-18(24)13-19(16)25/h1-13H,14H2 |
| InChIK | BUHICRIJXKLBQD-UHFFFAOYSA-N |
| TotalMolweight | 413.734 |
| Molweight | 413.734 |
| MonoisotopicMass | 412.030079 |
| CLogP | 6.664 |
| CLogS | -5.908 |
| H Acceptors | 2 |
| TotalSurfaceArea | 301.86 |
| Relative PSA | 0.0591 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 2.0768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| 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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1 - 1-[(3-chlorophenyl)methyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazole | 2 - 1-[(3-chlorophenyl)methyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazole
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