4-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-imidazol-2-yl]-2,1,3-benzoxadiazole

• ChemBase ID: 698495
• Molecular Formular: C18H14N6O
• Molecular Mass: 330.34336
• Monoisotopic Mass: 330.1229091
• SMILES: c1(c2n(Cc3nc4n(c3)cccc4C)ccn2)c2c(non2)ccc1
• Canonical SMILES: Cc1cccn2c1nc(c2)Cn1ccnc1c1cccc2c1non2
• InChI: InChI=1S/C18H14N6O/c1-12-4-3-8-23-10-13(20-17(12)23)11-24-9-7-19-18(24)14-5-2-6-15-16(14)22-25-21-15/h2-10H,11H2,1H3
• InChIKey: ULPDDICFIOOMMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-imidazol-2-yl]-2,1,3-benzoxadiazole
• IUPAC Traditional name: 4-[1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)imidazol-2-yl]-2,1,3-benzoxadiazole
• Synonyms: 4-{1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-imidazol-2-yl}-2,1,3-benzoxadiazole

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 74.04 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 2.34
• LOG S: -4.72

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4687506
• LogD (pH = 7.4): 2.5231795
• Log P: 2.558915
• Molar Refractivity: 104.0979 cm^3
• Polarizability: 36.14058 Å^3
• Polar Surface Area: 74.04 Å^2