2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
Formula:C24H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C24H16N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCc(cccc1)c1C#N |
| InChI | InChI=1S/C24H16N4O/c25-14-18-5-1-2-6-19(18)16-29-21-11-9-17(10-12-21)13-20(15-26)24-27-22-7-3-4-8-23(22)28-24/h1-13H,16H2,(H,27,28) |
| InChIK | VICQBNOUJRCZEN-UHFFFAOYSA-N |
| TotalMolweight | 376.418 |
| Molweight | 376.418 |
| MonoisotopicMass | 376.132411 |
| CLogP | 4.0054 |
| CLogS | -5.238 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 307.6 |
| Relative PSA | 0.20182 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | -4.0185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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