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

• ChemBase ID: 732633
• Molecular Formular: C21H28N4O
• Molecular Mass: 352.47322
• Monoisotopic Mass: 352.22631154
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NC(c1n(ccn1)C)CCC
• Canonical SMILES: CCCC(c1nccn1C)NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C21H28N4O/c1-6-7-17(21-22-10-11-25(21)5)24-18(26)12-16-15(4)23-20-14(3)9-8-13(2)19(16)20/h8-11,17,23H,6-7,12H2,1-5H3,(H,24,26)
• InChIKey: AZYQDKUPBISIQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.467374
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2815778
• LogD (pH = 7.4): 3.7765145
• Log P: 3.7915945
• Molar Refractivity: 105.8131 cm^3
• Polarizability: 41.26406 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.14
• LOG S: -4.45
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6