2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C22H18N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C22H18N5OClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C22H18ClN5OS/c23-18-6-2-1-5-17(18)14-28-20-8-4-3-7-19(20)26-22(28)30-15-21(29)27-25-13-16-9-11-24-12-10-16/h1-13H,14-15H2,(H,27,29) |
| InChIK | SSPBWHOJJCLFRD-UHFFFAOYSA-N |
| TotalMolweight | 435.938 |
| Molweight | 435.938 |
| MonoisotopicMass | 435.092057 |
| CLogP | 4.3515 |
| CLogS | -4.637 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.5 |
| Relative PSA | 0.25056 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 6.2732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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