2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C18H14N7O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H14N7O2Cl |
| Smiles | Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H14ClN7O2/c19-12-7-5-11(6-8-12)9-21-23-15(27)10-26-14-4-2-1-3-13(14)22-18(26)16-17(20)25-28-24-16/h1-9H,10H2,(H2,20,25)(H,23,27) |
| InChIK | JLSGUEKVDDQYFU-UHFFFAOYSA-N |
| TotalMolweight | 395.809 |
| Molweight | 395.809 |
| MonoisotopicMass | 395.08975 |
| CLogP | 2.954 |
| CLogS | -4.479 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 294.22 |
| Relative PSA | 0.35745 |
| PolarSurfaceArea | 124.22 |
| Druglikeness | 6.7584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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