N-[2-(2,4,6-trimethylphenoxy)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 659539
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCOc1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)OCCNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C18H24N4O2/c1-12-8-13(2)17(14(3)9-12)24-7-5-20-18(23)15-11-22-6-4-19-10-16(22)21-15/h8-9,11,19H,4-7,10H2,1-3H3,(H,20,23)
• InChIKey: DAIFQYOPXKSWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,4,6-trimethylphenoxy)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(2,4,6-trimethylphenoxy)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(mesityloxy)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.287372
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0718944
• LogD (pH = 7.4): 2.1218474
• Log P: 2.1829226
• Molar Refractivity: 93.7944 cm^3
• Polarizability: 35.476242 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.89
• LOG S: -3.21
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5