3-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-[4-(oxolan-2-ylmethoxy)phenyl]urea

• ChemBase ID: 403285
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: n1c2n(cc1CNC(=O)Nc1ccc(OCC3OCCC3)cc1)cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1)OCC1CCCO1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H22N4O3/c25-20(21-12-16-13-24-10-2-1-5-19(24)22-16)23-15-6-8-17(9-7-15)27-14-18-4-3-11-26-18/h1-2,5-10,13,18H,3-4,11-12,14H2,(H2,21,23,25)
• InChIKey: XKYMYYGTXIDFAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-[4-(oxolan-2-ylmethoxy)phenyl]urea
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-[4-(oxolan-2-ylmethoxy)phenyl]urea
• Synonyms: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-[4-(tetrahydrofuran-2-ylmethoxy)phenyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.154304
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4189973
• LogD (pH = 7.4): 1.9401803
• Log P: 1.9542531
• Molar Refractivity: 103.1811 cm^3
• Polarizability: 38.74866 Å^3
• Polar Surface Area: 76.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.49
• LOG S: -3.14
• Polar Surface Area: 76.89 Å^2
• Rotatable Bonds: 6