2-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazole

• ChemBase ID: 692073
• Molecular Formular: C17H17ClN6
• Molecular Mass: 340.81008
• Monoisotopic Mass: 340.12032225
• SMILES: c1(n2c(nc1C)ccc(c2)Cl)c1n(ccn1)CCCn1cncc1
• Canonical SMILES: Clc1ccc2n(c1)c(c(n2)C)c1nccn1CCCn1cncc1
• InChI: InChI=1S/C17H17ClN6/c1-13-16(24-11-14(18)3-4-15(24)21-13)17-20-6-10-23(17)8-2-7-22-9-5-19-12-22/h3-6,9-12H,2,7-8H2,1H3
• InChIKey: IKPFZIWINSCVMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazole
• IUPAC Traditional name: 2-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[3-(imidazol-1-yl)propyl]imidazole
• Synonyms: 6-chloro-3-{1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazol-2-yl}-2-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5140561
• LogD (pH = 7.4): 1.4328485
• Log P: 1.5118283
• Molar Refractivity: 104.9692 cm^3
• Polarizability: 35.775562 Å^3
• Polar Surface Area: 52.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -3.61
• Polar Surface Area: 52.94 Å^2
• Rotatable Bonds: 5