2-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-5-methylpyrazine

• ChemBase ID: 500587
• Molecular Formular: C22H24N6
• Molecular Mass: 372.46616
• Monoisotopic Mass: 372.2062448
• SMILES: c1(n(cnc1c1ccccc1)Cc1ncc(nc1)C)CCn1nc(cc1C)C
• Canonical SMILES: Cc1ncc(nc1)Cn1cnc(c1CCn1nc(cc1C)C)c1ccccc1
• InChI: InChI=1S/C22H24N6/c1-16-11-18(3)28(26-16)10-9-21-22(19-7-5-4-6-8-19)25-15-27(21)14-20-13-23-17(2)12-24-20/h4-8,11-13,15H,9-10,14H2,1-3H3
• InChIKey: NYZHWJSXXBCGAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-5-methylpyrazine
• IUPAC Traditional name: 2-({5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylimidazol-1-yl}methyl)-5-methylpyrazine
• Synonyms: 2-({5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}methyl)-5-methylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5548965
• LogD (pH = 7.4): 2.0608475
• Log P: 2.0767233
• Molar Refractivity: 121.0419 cm^3
• Polarizability: 42.88991 Å^3
• Polar Surface Area: 61.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -3.72
• Polar Surface Area: 61.42 Å^2
• Rotatable Bonds: 6