4-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide

• ChemBase ID: 402587
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCOCc1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCOCc1ccccc1
• InChI: InChI=1S/C18H23N3O2/c22-18(10-6-12-23-14-15-7-2-1-3-8-15)20-17-13-19-16-9-4-5-11-21(16)17/h1-3,7-8,13H,4-6,9-12,14H2,(H,20,22)
• InChIKey: QFDIDFXUHFGQBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide
• IUPAC Traditional name: 4-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide
• Synonyms: 4-(benzyloxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.831339
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5945839
• LogD (pH = 7.4): 2.2454422
• Log P: 2.2761152
• Molar Refractivity: 90.4832 cm^3
• Polarizability: 34.310085 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.54
• LOG S: -3.65
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 7