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

• ChemBase ID: 691301
• Molecular Formular: C18H19N3O2
• Molecular Mass: 309.36236
• Monoisotopic Mass: 309.14772686
• SMILES: c1(oc2c(c1C)ccc(c2)C)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: Cc1ccc2c(c1)oc(c2C)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H19N3O2/c1-11-6-7-13-12(2)17(23-14(13)9-11)18(22)20-16-10-19-15-5-3-4-8-21(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,22)
• InChIKey: ICSBFUNHMMGUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.313066
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.508632
• LogD (pH = 7.4): 3.1331518
• Log P: 3.1602314
• Molar Refractivity: 89.4343 cm^3
• Polarizability: 34.143982 Å^3
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -3.86
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 2