4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
Formula:C17H11N3OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide |
| MolecularFormula | C17H11N3OBrF3 |
| Smiles | O=C(c(cc1)ccc1Br)N/C=C/n1c(ccc(C(F)(F)F)c2)c2nc1 |
| InChI | InChI=1S/C17H11BrF3N3O/c18-13-4-1-11(2-5-13)16(25)22-7-8-24-10-23-14-9-12(17(19,20)21)3-6-15(14)24/h1-10H,(H,22,25) |
| InChIK | IIJZRFNKRPXRCG-UHFFFAOYSA-N |
| TotalMolweight | 410.192 |
| Molweight | 410.192 |
| MonoisotopicMass | 409.003757 |
| CLogP | 3.4931 |
| CLogS | -4.824 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.38 |
| Relative PSA | 0.16324 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | -6.7558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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