5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenyl-1H-imidazole-4-carboxamide

• ChemBase ID: 367972
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)NCc1ncc(nc1)C
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1nc([nH]c1C)c1ccccc1
• InChI: InChI=1S/C17H17N5O/c1-11-8-19-14(9-18-11)10-20-17(23)15-12(2)21-16(22-15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22)
• InChIKey: DDHSCFWCAMVYOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenyl-1H-imidazole-4-carboxamide
• Synonyms: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenyl-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.609599
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0349119
• LogD (pH = 7.4): 1.0388211
• Log P: 1.0412444
• Molar Refractivity: 97.2353 cm^3
• Polarizability: 33.415783 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.97
• LOG S: -3.12
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4