N-[(Z)-furan-2-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Formula:C15H11N4O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide |
| MolecularFormula | C15H11N4O2F3 |
| Smiles | O=C(Cn1c(cccc2)c2nc1C(F)(F)F)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H11F3N4O2/c16-15(17,18)14-20-11-5-1-2-6-12(11)22(14)9-13(23)21-19-8-10-4-3-7-24-10/h1-8H,9H2,(H,21,23) |
| InChIK | WAFJXEVQYBJCRB-UHFFFAOYSA-N |
| TotalMolweight | 336.272 |
| Molweight | 336.272 |
| MonoisotopicMass | 336.08341 |
| CLogP | 2.3551 |
| CLogS | -2.806 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.46 |
| Relative PSA | 0.28029 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | -3.837 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off