N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2,2-diphenylacetamide

• ChemBase ID: 863364
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n1(c(ncc1)C)CCNC(=O)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)NCCn1ccnc1C
• InChI: InChI=1S/C20H21N3O/c1-16-21-12-14-23(16)15-13-22-20(24)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,14,19H,13,15H2,1H3,(H,22,24)
• InChIKey: LGGMNLRNXKPWCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2,2-diphenylacetamide
• IUPAC Traditional name: N-[2-(2-methylimidazol-1-yl)ethyl]-2,2-diphenylacetamide
• Synonyms: N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2,2-diphenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.549028
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7228112
• LogD (pH = 7.4): 2.4931366
• Log P: 2.7345095
• Molar Refractivity: 95.1352 cm^3
• Polarizability: 36.67892 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.43
• LOG S: -4.91
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6