2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Formula:C24H18N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is not a drug-like molecule.
| MolName | 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| MolecularFormula | C24H18N3O2F3 |
| Smiles | O=C(Cn1c(cccc2)c2nc1/C=C/c1ccccc1)Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C24H18F3N3O2/c25-24(26,27)32-19-13-11-18(12-14-19)28-23(31)16-30-21-9-5-4-8-20(21)29-22(30)15-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,31) |
| InChIK | NUDSYNPDUAFBBR-UHFFFAOYSA-N |
| TotalMolweight | 437.42 |
| Molweight | 437.42 |
| MonoisotopicMass | 437.135111 |
| CLogP | 5.2296 |
| CLogS | -4.912 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.27 |
| Relative PSA | 0.16141 |
| PolarSurfaceArea | 56.15 |
| Druglikeness | -4.6969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide | 2 - 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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