1-ethyl-6-[4-phenyl-1-(pyrrolidin-3-yl)-1H-imidazol-5-yl]-1H-indole

• ChemBase ID: 767225
• Molecular Formular: C23H24N4
• Molecular Mass: 356.46346
• Monoisotopic Mass: 356.20009679
• SMILES: c1(n(cnc1c1ccccc1)C1CCNC1)c1cc2n(ccc2cc1)CC
• Canonical SMILES: CCn1ccc2c1cc(cc2)c1c(ncn1C1CNCC1)c1ccccc1
• InChI: InChI=1S/C23H24N4/c1-2-26-13-11-17-8-9-19(14-21(17)26)23-22(18-6-4-3-5-7-18)25-16-27(23)20-10-12-24-15-20/h3-9,11,13-14,16,20,24H,2,10,12,15H2,1H3
• InChIKey: QFAFZVGHDMMRDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-6-[4-phenyl-1-(pyrrolidin-3-yl)-1H-imidazol-5-yl]-1H-indole
• IUPAC Traditional name: 1-ethyl-6-[5-phenyl-3-(pyrrolidin-3-yl)imidazol-4-yl]indole
• Synonyms: 1-ethyl-6-(4-phenyl-1-pyrrolidin-3-yl-1H-imidazol-5-yl)-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.55426323
• LogD (pH = 7.4): 0.90324426
• Log P: 3.9417984
• Molar Refractivity: 109.7102 cm^3
• Polarizability: 46.195686 Å^3
• Polar Surface Area: 34.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 5.39
• LOG S: -5.39
• Polar Surface Area: 34.78 Å^2
• Rotatable Bonds: 4