4-(4-chlorophenyl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)butanamide

• ChemBase ID: 527011
• Molecular Formular: C19H21ClN4O
• Molecular Mass: 356.84924
• Monoisotopic Mass: 356.14038899
• SMILES: c12nc(cn1cccn2)C(NC(=O)CCCc1ccc(Cl)cc1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)CCCc1ccc(cc1)Cl
• InChI: InChI=1S/C19H21ClN4O/c1-2-16(17-13-24-12-4-11-21-19(24)23-17)22-18(25)6-3-5-14-7-9-15(20)10-8-14/h4,7-13,16H,2-3,5-6H2,1H3,(H,22,25)
• InChIKey: JRLNELHMSDWMBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenyl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)butanamide
• IUPAC Traditional name: 4-(4-chlorophenyl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)butanamide
• Synonyms: 4-(4-chlorophenyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.947304
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2511814
• LogD (pH = 7.4): 3.2521765
• Log P: 3.2521904
• Molar Refractivity: 99.9312 cm^3
• Polarizability: 37.960968 Å^3
• Polar Surface Area: 59.29 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: 3.03
• LOG S: -4.39
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 7