2-chloro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
Formula:C17H11N3OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide |
| MolecularFormula | C17H11N3OClF3 |
| Smiles | O=C(c(cccc1)c1Cl)N/C=C/n1c(ccc(C(F)(F)F)c2)c2nc1 |
| InChI | InChI=1S/C17H11ClF3N3O/c18-13-4-2-1-3-12(13)16(25)22-7-8-24-10-23-14-9-11(17(19,20)21)5-6-15(14)24/h1-10H,(H,22,25) |
| InChIK | UIYQGTSTVXEZGO-UHFFFAOYSA-N |
| TotalMolweight | 365.741 |
| Molweight | 365.741 |
| MonoisotopicMass | 365.054273 |
| CLogP | 3.3739 |
| CLogS | -4.726 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.17 |
| Relative PSA | 0.16528 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | -4.9236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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