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

• ChemBase ID: 392351
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(c1ccccc1)C1CCCC1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H25N3O/c24-20(22-18-14-21-17-12-6-7-13-23(17)18)19(16-10-4-5-11-16)15-8-2-1-3-9-15/h1-3,8-9,14,16,19H,4-7,10-13H2,(H,22,24)
• InChIKey: QZMGJLIVOPBLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.609991
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0565977
• LogD (pH = 7.4): 3.704226
• Log P: 3.7344148
• Molar Refractivity: 95.8086 cm^3
• Polarizability: 36.57588 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.65
• LOG S: -4.68
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4