HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1-Allyl-1H-benzoimidazol-2-yl)-phenyl-methanol
(1-allyl-1H-benzo[d]imidazol-2-yl)(phenyl)methanol · phenyl[1-(prop-2-en-1-yl)-1H-benzimidazol-2-yl]methanol · 1H-Benzimidazole-2-methanol, α-phenyl-1-(2-propen-1-yl)-
Identifiers & Physical Properties
| CAS No. | 36325-02-7 |
|---|---|
| Molecular formula | C17H16N2O |
| Average molar mass | 264.32 g/mol |
| SMILES | C=CCn1c(C(O)c2ccccc2)nc2ccccc21 |
| InChIKey | YPHATWPQCSCPCW-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1526986 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 38.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 327 |
| Solubility | 24.2 [ug/mL] (The mean of the results at pH 7.4) |
| Boiling point | 473.7±45.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.09±0.20(Predicted) |