4-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 498584
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: c12C(N(Cc3occc3)CCc1[nH]cn2)c1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1C1N(CCc2c1nc[nH]2)Cc1ccco1
• InChI: InChI=1S/C19H21N3O/c1-2-14-6-3-4-8-16(14)19-18-17(20-13-21-18)9-10-22(19)12-15-7-5-11-23-15/h3-8,11,13,19H,2,9-10,12H2,1H3,(H,20,21)
• InChIKey: IAZCYJCVXANKSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 4-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 4-(2-ethylphenyl)-5-(2-furylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.93881
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9034867
• LogD (pH = 7.4): 3.1514213
• Log P: 3.2879717
• Molar Refractivity: 91.3344 cm^3
• Polarizability: 34.881153 Å^3
• Polar Surface Area: 45.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.59
• LOG S: -3.65
• Polar Surface Area: 45.06 Å^2
• Rotatable Bonds: 4