2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
Formula:C21H18N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-phenoxyethyl)benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-phenoxyethyl)benzimidazole |
| MolecularFormula | C21H18N2O2 |
| Smiles | C(COc1ccccc1)n1c(cccc2)c2nc1/C=C/c1ccco1 |
| InChI | InChI=1S/C21H18N2O2/c1-2-7-17(8-3-1)25-16-14-23-20-11-5-4-10-19(20)22-21(23)13-12-18-9-6-15-24-18/h1-13,15H,14,16H2 |
| InChIK | HSAVDZUEIRLBPO-UHFFFAOYSA-N |
| TotalMolweight | 330.386 |
| Molweight | 330.386 |
| MonoisotopicMass | 330.136828 |
| CLogP | 3.9519 |
| CLogS | -3.547 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.05 |
| Relative PSA | 0.15592 |
| PolarSurfaceArea | 40.19 |
| Druglikeness | 2.3408 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-phenoxyethyl)benzimidazole | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
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