1-(3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)imidazolidin-2-one

• ChemBase ID: 740858
• Molecular Formular: C22H21N5O2
• Molecular Mass: 387.43444
• Monoisotopic Mass: 387.16952494
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C(=O)c1cc(N3C(=O)NCC3)ccc1)C2
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)N1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C22H21N5O2/c28-21(16-7-4-8-17(13-16)27-12-10-23-22(27)29)26-11-9-18-19(14-26)25-20(24-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,23,29)(H,24,25)
• InChIKey: SCSRGVPRMCFEEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(3-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}phenyl)imidazolidin-2-one
• Synonyms: 1-{3-[(2-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)carbonyl]phenyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.739846
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2994329
• LogD (pH = 7.4): 1.5310313
• Log P: 1.5350536
• Molar Refractivity: 119.9574 cm^3
• Polarizability: 41.749336 Å^3
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.36
• LOG S: -2.33
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 3