1-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3,3-diphenylpiperidine

• ChemBase ID: 575501
• Molecular Formular: C24H22N4O
• Molecular Mass: 382.45768
• Monoisotopic Mass: 382.17936134
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H22N4O/c29-22(21-17-27-16-8-14-25-23(27)26-21)28-15-7-13-24(18-28,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,8-12,14,16-17H,7,13,15,18H2
• InChIKey: KBPVZUPTRFJGRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3,3-diphenylpiperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3,3-diphenylpiperidine
• Synonyms: 2-[(3,3-diphenylpiperidin-1-yl)carbonyl]imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3520734
• LogD (pH = 7.4): 3.3520854
• Log P: 3.3520854
• Molar Refractivity: 124.9855 cm^3
• Polarizability: 42.919228 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -5.63
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3