2-[(E)-1-(benzenesulfonyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
Formula:C22H15N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-1-(benzenesulfonyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-1-(benzenesulfonyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole |
| MolecularFormula | C22H15N2O2F3S |
| Smiles | O=S(/C(/c1nc(cccc2)c2[nH]1)=C/c1cc(C(F)(F)F)ccc1)(c1ccccc1)=O |
| InChI | InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-8-6-7-15(13-16)14-20(30(28,29)17-9-2-1-3-10-17)21-26-18-11-4-5-12-19(18)27-21/h1-14H,(H,26,27) |
| InChIK | WHIBJKKWUAVFGV-UHFFFAOYSA-N |
| TotalMolweight | 428.433 |
| Molweight | 428.433 |
| MonoisotopicMass | 428.080632 |
| CLogP | 4.4348 |
| CLogS | -4.054 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.46 |
| Relative PSA | 0.17939 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | -13.855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-1-(benzenesulfonyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole | 2 - 2-[(E)-1-(benzenesulfonyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
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