2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
Formula:C22H14N2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole |
| MolecularFormula | C22H14N2Cl4 |
| Smiles | Clc1cc(Cl)c(Cn2c(cccc3)c3nc2/C=C/c(ccc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C22H14Cl4N2/c23-16-8-5-14(18(25)11-16)7-10-22-27-20-3-1-2-4-21(20)28(22)13-15-6-9-17(24)12-19(15)26/h1-12H,13H2 |
| InChIK | YSGYSZUEBUCGHO-UHFFFAOYSA-N |
| TotalMolweight | 448.179 |
| Molweight | 448.179 |
| MonoisotopicMass | 445.991106 |
| CLogP | 7.27 |
| CLogS | -6.644 |
| H Acceptors | 2 |
| TotalSurfaceArea | 317.28 |
| Relative PSA | 0.056228 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 2.0768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole | 2 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
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