[5-({4-[(benzyloxy)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)furan-2-yl]methanol

• ChemBase ID: 666993
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c12C(N(Cc3oc(cc3)CO)CCc1[nH]cn2)COCc1ccccc1
• Canonical SMILES: OCc1ccc(o1)CN1CCc2c(C1COCc1ccccc1)nc[nH]2
• InChI: InChI=1S/C20H23N3O3/c24-11-17-7-6-16(26-17)10-23-9-8-18-20(22-14-21-18)19(23)13-25-12-15-4-2-1-3-5-15/h1-7,14,19,24H,8-13H2,(H,21,22)
• InChIKey: RHASKEDZLWIHAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-({4-[(benzyloxy)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)furan-2-yl]methanol
• IUPAC Traditional name: [5-({4-[(benzyloxy)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)furan-2-yl]methanol
• Synonyms: [5-({4-[(benzyloxy)methyl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)-2-furyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.90117
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.431507
• LogD (pH = 7.4): 1.3654269
• Log P: 1.4356576
• Molar Refractivity: 99.4291 cm^3
• Polarizability: 38.104218 Å^3
• Polar Surface Area: 74.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.01
• LOG S: -2.64
• Polar Surface Area: 74.52 Å^2
• Rotatable Bonds: 7