N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenylpentanamide

• ChemBase ID: 678700
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCCc1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCCc1ccccc1
• InChI: InChI=1S/C18H23N3O/c22-18(12-5-4-10-15-8-2-1-3-9-15)20-17-14-19-16-11-6-7-13-21(16)17/h1-3,8-9,14H,4-7,10-13H2,(H,20,22)
• InChIKey: WWNJOFNMKBLQOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenylpentanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenylpentanamide
• Synonyms: 5-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.833551
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6865754
• LogD (pH = 7.4): 3.3374588
• Log P: 3.3681355
• Molar Refractivity: 88.4877 cm^3
• Polarizability: 33.54641 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: 2
• H Donor: 1
• Log P: 3.35
• LOG S: -4.23
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6