5-{2-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-2-oxoethyl}imidazolidine-2,4-dione

• ChemBase ID: 580127
• Molecular Formular: C18H19N5O4
• Molecular Mass: 369.37456
• Monoisotopic Mass: 369.14370411
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C(=O)CC1C(=O)NC(=O)N1)C2
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)CC1NC(=O)NC1=O
• InChI: InChI=1S/C18H19N5O4/c1-27-11-4-2-3-10(7-11)16-19-12-5-6-23(9-14(12)20-16)15(24)8-13-17(25)22-18(26)21-13/h2-4,7,13H,5-6,8-9H2,1H3,(H,19,20)(H2,21,22,25,26)
• InChIKey: YMHFVEFFCSGFLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-2-oxoethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{2-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]-2-oxoethyl}imidazolidine-2,4-dione
• Synonyms: 5-{2-[2-(3-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-2-oxoethyl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.624019
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.81348455
• LogD (pH = 7.4): -0.60323364
• Log P: -0.5970965
• Molar Refractivity: 105.0985 cm^3
• Polarizability: 36.886864 Å^3
• Polar Surface Area: 116.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.09
• LOG S: -3.13
• Polar Surface Area: 116.42 Å^2
• Rotatable Bonds: 4