2-(2-Methylbenzimidazol-1-yl)-1-phenylethanol
Basic information
- CAS
742119-44-4- Standard SMILES
Cc1nc2ccccc2n1CC(O)c1ccccc1- InChIKey
AXXDMHANFAYSEO-UHFFFAOYSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.12626314
Names & identifiers
- Preferred name
- 2-(2-Methylbenzimidazol-1-yl)-1-phenylethanol
- IUPAC
- 2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
Names & synonyms
2-(2-methylbenzimidazol-1-yl)-1-phenylethanolMLS001176875CHEMBL1875739DTXSID801323061HMS1790K20HMS2914C10AKOS005218439742119-44-4SMR000595873SR-01000050208SR-01000050208-1Z31371478
Show more names
2-(2-Methyl-1H-benzimidazol-1-yl)-1-phenylethan-1-ol
Database identifiers
- CAS
742119-44-4- PubChem CID
- 5200852
- DTXSID
DTXSID801323061- ChEMBL
CHEMBL1875739
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
Solubility33.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…