1-(2-bromoprop-2-enyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
Formula:C18H14N2BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(2-bromoprop-2-enyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole is not a drug-like molecule.
| MolName | 1-(2-bromoprop-2-enyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole |
| MolecularFormula | C18H14N2BrCl |
| Smiles | C=C(Cn1c(cccc2)c2nc1/C=C/c(cc1)ccc1Cl)Br |
| InChI | InChI=1S/C18H14BrClN2/c1-13(19)12-22-17-5-3-2-4-16(17)21-18(22)11-8-14-6-9-15(20)10-7-14/h2-11H,1,12H2 |
| InChIK | ZHSWNRKDZYFVED-UHFFFAOYSA-N |
| TotalMolweight | 373.68 |
| Molweight | 373.68 |
| MonoisotopicMass | 372.002886 |
| CLogP | 5.212 |
| CLogS | -4.693 |
| H Acceptors | 2 |
| TotalSurfaceArea | 252.64 |
| Relative PSA | 0.070614 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | -4.3632 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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