2-[(2,4-dichlorophenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
Formula:C23H18N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(2,4-dichlorophenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is not a drug-like molecule.
| MolName | 2-[(2,4-dichlorophenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole |
| MolecularFormula | C23H18N2OCl2 |
| Smiles | Clc(cc1)cc(Cl)c1OCc1nc(cccc2)c2n1C/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H18Cl2N2O/c24-18-12-13-22(19(25)15-18)28-16-23-26-20-10-4-5-11-21(20)27(23)14-6-9-17-7-2-1-3-8-17/h1-13,15H,14,16H2 |
| InChIK | AKDHPSMKSUORSR-UHFFFAOYSA-N |
| TotalMolweight | 409.315 |
| Molweight | 409.315 |
| MonoisotopicMass | 408.079617 |
| CLogP | 5.8706 |
| CLogS | -5.132 |
| H Acceptors | 3 |
| TotalSurfaceArea | 310.2 |
| Relative PSA | 0.089749 |
| PolarSurfaceArea | 27.05 |
| Druglikeness | 1.702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2,4-dichlorophenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole | 2 - 2-[(2,4-dichlorophenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
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