N-(4-{1-[2-(2-hydroxyethyl)phenyl]-1H-imidazol-2-yl}phenyl)acetamide

• ChemBase ID: 331886
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: n1(c(ncc1)c1ccc(NC(=O)C)cc1)c1c(CCO)cccc1
• Canonical SMILES: OCCc1ccccc1n1ccnc1c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C19H19N3O2/c1-14(24)21-17-8-6-16(7-9-17)19-20-11-12-22(19)18-5-3-2-4-15(18)10-13-23/h2-9,11-12,23H,10,13H2,1H3,(H,21,24)
• InChIKey: RQJUONDQSQDUOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{1-[2-(2-hydroxyethyl)phenyl]-1H-imidazol-2-yl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{1-[2-(2-hydroxyethyl)phenyl]imidazol-2-yl}phenyl)acetamide
• Synonyms: N-(4-{1-[2-(2-hydroxyethyl)phenyl]-1H-imidazol-2-yl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.981284
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0850756
• LogD (pH = 7.4): 2.5091698
• Log P: 2.5202024
• Molar Refractivity: 115.5419 cm^3
• Polarizability: 36.79655 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.86
• LOG S: -3.99
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5