2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-phenoxybutyl)benzimidazole
Formula:C25H23N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-phenoxybutyl)benzimidazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-phenoxybutyl)benzimidazole |
| MolecularFormula | C25H23N2OF |
| Smiles | Fc1ccc(/C=C/c2nc(cccc3)c3n2CCCCOc2ccccc2)cc1 |
| InChI | InChI=1S/C25H23FN2O/c26-21-15-12-20(13-16-21)14-17-25-27-23-10-4-5-11-24(23)28(25)18-6-7-19-29-22-8-2-1-3-9-22/h1-5,8-17H,6-7,18-19H2 |
| InChIK | LUDLJJWLXALQDN-UHFFFAOYSA-N |
| TotalMolweight | 386.469 |
| Molweight | 386.469 |
| MonoisotopicMass | 386.179441 |
| CLogP | 5.7728 |
| CLogS | -4.719 |
| H Acceptors | 3 |
| TotalSurfaceArea | 313.23 |
| Relative PSA | 0.08888 |
| PolarSurfaceArea | 27.05 |
| Druglikeness | -3.1194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-phenoxybutyl)benzimidazole | 2 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-phenoxybutyl)benzimidazole
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