N-[2-ethyl-4-(2-propyl-1H-imidazol-1-yl)phenyl]acetamide

• ChemBase ID: 694657
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: n1(c(ncc1)CCC)c1cc(c(NC(=O)C)cc1)CC
• Canonical SMILES: CCCc1nccn1c1ccc(c(c1)CC)NC(=O)C
• InChI: InChI=1S/C16H21N3O/c1-4-6-16-17-9-10-19(16)14-7-8-15(18-12(3)20)13(5-2)11-14/h7-11H,4-6H2,1-3H3,(H,18,20)
• InChIKey: ICLRYQXXEUUXMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-ethyl-4-(2-propyl-1H-imidazol-1-yl)phenyl]acetamide
• IUPAC Traditional name: N-[2-ethyl-4-(2-propylimidazol-1-yl)phenyl]acetamide
• Synonyms: N-[2-ethyl-4-(2-propyl-1H-imidazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.070675
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.288066
• LogD (pH = 7.4): 3.100186
• Log P: 3.20028
• Molar Refractivity: 92.1802 cm^3
• Polarizability: 31.352518 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.65
• LOG S: -3.45
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5