2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C21H17N4OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H17N4OClS2 |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c1cccs1 |
| InChI | InChI=1S/C21H17ClN4OS2/c22-17-8-2-1-6-15(17)13-26-19-10-4-3-9-18(19)24-21(26)29-14-20(27)25-23-12-16-7-5-11-28-16/h1-12H,13-14H2,(H,25,27) |
| InChIK | GBVHEWYJRHZSSI-UHFFFAOYSA-N |
| TotalMolweight | 440.978 |
| Molweight | 440.978 |
| MonoisotopicMass | 440.053228 |
| CLogP | 5.219 |
| CLogS | -5.442 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.68 |
| Relative PSA | 0.28156 |
| PolarSurfaceArea | 112.82 |
| Druglikeness | 7.4791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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