4-(2-chlorophenoxy)-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine

• ChemBase ID: 863494
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CCC(Oc2c(Cl)cccc2)CC1
• Canonical SMILES: Clc1ccccc1OC1CCN(CC1)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C19H19ClN4O2/c1-13-17(24-10-4-9-21-19(24)22-13)18(25)23-11-7-14(8-12-23)26-16-6-3-2-5-15(16)20/h2-6,9-10,14H,7-8,11-12H2,1H3
• InChIKey: ZBSLNOWDYDNYSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenoxy)-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine
• IUPAC Traditional name: 4-(2-chlorophenoxy)-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine
• Synonyms: 3-{[4-(2-chlorophenoxy)-1-piperidinyl]carbonyl}-2-methylimidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4128388
• LogD (pH = 7.4): 1.4129136
• Log P: 1.4129145
• Molar Refractivity: 100.9194 cm^3
• Polarizability: 37.68196 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: -4.05
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3