5-(5-ethylfuran-2-yl)-4-phenyl-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole

• ChemBase ID: 586901
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: c1(n(cnc1c1ccccc1)C[C@@H]1NCCC1)c1oc(cc1)CC
• Canonical SMILES: CCc1ccc(o1)c1n(cnc1c1ccccc1)C[C@H]1CCCN1
• InChI: InChI=1S/C20H23N3O/c1-2-17-10-11-18(24-17)20-19(15-7-4-3-5-8-15)22-14-23(20)13-16-9-6-12-21-16/h3-5,7-8,10-11,14,16,21H,2,6,9,12-13H2,1H3/t16-/m1/s1
• InChIKey: IRCMGWXVCSBMRR-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-ethylfuran-2-yl)-4-phenyl-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole
• IUPAC Traditional name: 5-(5-ethylfuran-2-yl)-4-phenyl-1-[(2R)-pyrrolidin-2-ylmethyl]imidazole
• Synonyms: 5-(5-ethyl-2-furyl)-4-phenyl-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.29038975
• LogD (pH = 7.4): 0.47561583
• Log P: 3.5622456
• Molar Refractivity: 95.6876 cm^3
• Polarizability: 39.54197 Å^3
• Polar Surface Area: 42.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.1
• LOG S: -4.04
• Polar Surface Area: 42.99 Å^2
• Rotatable Bonds: 5