N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 364970
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)N(Cc1nc(c[nH]1)C)C
• Canonical SMILES: Cc1c[nH]c(n1)CN(C(=O)Cc1c(C)[nH]c2c1cc(C)cc2C)C
• InChI: InChI=1S/C19H24N4O/c1-11-6-12(2)19-16(7-11)15(14(4)22-19)8-18(24)23(5)10-17-20-9-13(3)21-17/h6-7,9,22H,8,10H2,1-5H3,(H,20,21)
• InChIKey: WVQJRMSCQJDFHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.998956
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7586266
• LogD (pH = 7.4): 2.3678937
• Log P: 2.3871095
• Molar Refractivity: 96.7857 cm^3
• Polarizability: 37.57862 Å^3
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.38
• LOG S: -3.6
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 4