(1-benzyl-1H-imidazol-2-yl)(2,3-dimethoxyphenyl)methanol

• ChemBase ID: 189766
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(n(ccn1)Cc1ccccc1)C(c1c(c(OC)ccc1)OC)O
• Canonical SMILES: COc1c(OC)cccc1C(c1nccn1Cc1ccccc1)O
• InChI: InChI=1S/C19H20N2O3/c1-23-16-10-6-9-15(18(16)24-2)17(22)19-20-11-12-21(19)13-14-7-4-3-5-8-14/h3-12,17,22H,13H2,1-2H3
• InChIKey: CWHVKENAXHDNCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-1H-imidazol-2-yl)(2,3-dimethoxyphenyl)methanol
• IUPAC Traditional name: (1-benzylimidazol-2-yl)(2,3-dimethoxyphenyl)methanol

Database IDs

• PubChem SID: 164245676
• PubChem CID: 626186

CALCULATED PROPERTIES

• Acid pKa: 12.563419
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.447701
• LogD (pH = 7.4): 2.7244036
• Log P: 2.7298286
• Molar Refractivity: 91.9493 cm^3
• Polarizability: 35.577427 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds