2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C24H18N4OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H18N4OClF3S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C24H18ClF3N4OS/c25-18-11-9-16(10-12-18)14-32-21-8-4-3-7-20(21)30-23(32)34-15-22(33)31-29-13-17-5-1-2-6-19(17)24(26,27)28/h1-13H,14-15H2,(H,31,33) |
| InChIK | MMZPAWRSPYWPQZ-UHFFFAOYSA-N |
| TotalMolweight | 502.947 |
| Molweight | 502.947 |
| MonoisotopicMass | 502.084192 |
| CLogP | 6.2007 |
| CLogS | -6.21 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 359.2 |
| Relative PSA | 0.19861 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | -0.91681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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