N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 450325
• Molecular Formular: C18H16N6O
• Molecular Mass: 332.35924
• Monoisotopic Mass: 332.13855916
• SMILES: c12nc(cn1cccn2)CNC(=O)Cn1c(ncc1)c1ccccc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C18H16N6O/c25-16(21-11-15-12-24-9-4-7-20-18(24)22-15)13-23-10-8-19-17(23)14-5-2-1-3-6-14/h1-10,12H,11,13H2,(H,21,25)
• InChIKey: CKFRQIOCVPWYJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.399311
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.074368685
• LogD (pH = 7.4): 0.61923146
• Log P: 0.63793296
• Molar Refractivity: 104.6366 cm^3
• Polarizability: 35.807423 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.45
• LOG S: -2.01
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5