2-[(E)-2-(furan-2-yl)ethenyl]-1-(4-phenoxybutyl)benzimidazole
Formula:C23H22N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-1-(4-phenoxybutyl)benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-1-(4-phenoxybutyl)benzimidazole |
| MolecularFormula | C23H22N2O2 |
| Smiles | C(CCOc1ccccc1)Cn1c(cccc2)c2nc1/C=C/c1ccco1 |
| InChI | InChI=1S/C23H22N2O2/c1-2-9-19(10-3-1)26-17-7-6-16-25-22-13-5-4-12-21(22)24-23(25)15-14-20-11-8-18-27-20/h1-5,8-15,18H,6-7,16-17H2 |
| InChIK | WRYHGSBVAHPSFD-UHFFFAOYSA-N |
| TotalMolweight | 358.44 |
| Molweight | 358.44 |
| MonoisotopicMass | 358.168128 |
| CLogP | 4.8607 |
| CLogS | -4.087 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.57 |
| Relative PSA | 0.14145 |
| PolarSurfaceArea | 40.19 |
| Druglikeness | -1.613 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(furan-2-yl)ethenyl]-1-(4-phenoxybutyl)benzimidazole | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-1-(4-phenoxybutyl)benzimidazole
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