N-[(E)-1-(1H-benzimidazol-2-yl)-2-[4-(3,4-dichlorophenoxy)phenyl]ethenyl]benzamide
Formula:C28H19N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1H-benzimidazol-2-yl)-2-[4-(3,4-dichlorophenoxy)phenyl]ethenyl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-[4-(3,4-dichlorophenoxy)phenyl]ethenyl]benzamide |
| MolecularFormula | C28H19N3O2Cl2 |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1Oc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C28H19Cl2N3O2/c29-22-15-14-21(17-23(22)30)35-20-12-10-18(11-13-20)16-26(33-28(34)19-6-2-1-3-7-19)27-31-24-8-4-5-9-25(24)32-27/h1-17H,(H,31,32)(H,33,34) |
| InChIK | LHYLLSRHTQPHFX-UHFFFAOYSA-N |
| TotalMolweight | 500.384 |
| Molweight | 500.384 |
| MonoisotopicMass | 499.085431 |
| CLogP | 6.7124 |
| CLogS | -7.993 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 370.23 |
| Relative PSA | 0.1606 |
| PolarSurfaceArea | 67.01 |
| Druglikeness | 2.2609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-[4-(3,4-dichlorophenoxy)phenyl]ethenyl]benzamide | 2 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-[4-(3,4-dichlorophenoxy)phenyl]ethenyl]benzamide
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