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

• ChemBase ID: 657624
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(COc2ccc(cc2)C)CCC1
• Canonical SMILES: Cc1ccc(cc1)OCC1CCCN(C1)C(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C20H22N4O2/c1-15-5-7-17(8-6-15)26-14-16-4-2-10-23(12-16)19(25)18-13-24-11-3-9-21-20(24)22-18/h3,5-9,11,13,16H,2,4,10,12,14H2,1H3
• InChIKey: FAZLFNASZDUOMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3-(4-methylphenoxymethyl)piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3-(4-methylphenoxymethyl)piperidine
• Synonyms: 2-({3-[(4-methylphenoxy)methyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1589158
• LogD (pH = 7.4): 2.1589277
• Log P: 2.1589277
• Molar Refractivity: 101.034 cm^3
• Polarizability: 37.607937 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.03
• LOG S: -3.49
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4