2-{1-[(1R,2R)-2-(benzyloxy)cyclopentyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 551684
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n1(c(ncc1)c1ncccc1)[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1CCC[C@H]1n1ccnc1c1ccccn1
• InChI: InChI=1S/C20H21N3O/c1-2-7-16(8-3-1)15-24-19-11-6-10-18(19)23-14-13-22-20(23)17-9-4-5-12-21-17/h1-5,7-9,12-14,18-19H,6,10-11,15H2/t18-,19-/m1/s1
• InChIKey: DJHRAHBFFNZURT-RTBURBONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(1R,2R)-2-(benzyloxy)cyclopentyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[(1R,2R)-2-(benzyloxy)cyclopentyl]imidazol-2-yl}pyridine
• Synonyms: 2-{1-[(1R,2R)-2-(benzyloxy)cyclopentyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9169502
• LogD (pH = 7.4): 3.9187746
• Log P: 3.918798
• Molar Refractivity: 103.6207 cm^3
• Polarizability: 37.0647 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -4.15
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5