2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C27H21N4OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C27H21N4OClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H21ClN4OS/c28-23-13-4-2-9-21(23)17-32-25-15-6-5-14-24(25)30-27(32)34-18-26(33)31-29-16-20-11-7-10-19-8-1-3-12-22(19)20/h1-16H,17-18H2,(H,31,33) |
| InChIK | OVVUWJMTGWYWJC-UHFFFAOYSA-N |
| TotalMolweight | 485.01 |
| Molweight | 485.01 |
| MonoisotopicMass | 484.112458 |
| CLogP | 6.5468 |
| CLogS | -7.038 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 364.34 |
| Relative PSA | 0.19581 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2732 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off