2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine

• ChemBase ID: 861540
• Molecular Formular: C19H24N6O
• Molecular Mass: 352.43346
• Monoisotopic Mass: 352.20115942
• SMILES: c1(C(=O)N2C(CCn3c(ncc3)C)CCCC2)n2c(nc1C)nccc2
• Canonical SMILES: O=C(c1c(C)nc2n1cccn2)N1CCCCC1CCn1ccnc1C
• InChI: InChI=1S/C19H24N6O/c1-14-17(25-11-5-8-21-19(25)22-14)18(26)24-10-4-3-6-16(24)7-12-23-13-9-20-15(23)2/h5,8-9,11,13,16H,3-4,6-7,10,12H2,1-2H3
• InChIKey: VRBOYNRZQRNJFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidine
• IUPAC Traditional name: 1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
• Synonyms: 2-methyl-3-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.85620207
• LogD (pH = 7.4): -0.08820202
• Log P: 0.15674321
• Molar Refractivity: 101.1892 cm^3
• Polarizability: 37.360867 Å^3
• Polar Surface Area: 68.32 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: 0.68
• LOG S: -2.35
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4