N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-4-(piperidin-3-yl)benzamide

• ChemBase ID: 683884
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c12nc(cn1cccn2)CNC(=O)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C19H21N5O/c25-18(22-12-17-13-24-10-2-9-21-19(24)23-17)15-6-4-14(5-7-15)16-3-1-8-20-11-16/h2,4-7,9-10,13,16,20H,1,3,8,11-12H2,(H,22,25)
• InChIKey: OMVJDZARQGXAHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-4-(piperidin-3-yl)benzamide
• Synonyms: N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.923663
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3489714
• LogD (pH = 7.4): -1.6362936
• Log P: 0.8705749
• Molar Refractivity: 98.1991 cm^3
• Polarizability: 36.59644 Å^3
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.47
• LOG S: -2.9
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 4