2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C25H19N7O3I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H19N7O3I2 |
| Smiles | Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c1cc(I)cc(I)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C25H19I2N7O3/c26-17-10-16(23(18(27)11-17)36-14-15-6-2-1-3-7-15)12-29-31-21(35)13-34-20-9-5-4-8-19(20)30-25(34)22-24(28)33-37-32-22/h1-12H,13-14H2,(H2,28,33)(H,31,35) |
| InChIK | QENYLAHJNFHMBQ-UHFFFAOYSA-N |
| TotalMolweight | 719.272 |
| Molweight | 719.272 |
| MonoisotopicMass | 718.963884 |
| CLogP | 4.5703 |
| CLogS | -7.116 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 414.88 |
| Relative PSA | 0.2776 |
| PolarSurfaceArea | 133.45 |
| Druglikeness | 6.8341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off