2-(dimethylamino)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 532268
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: C1(C(=O)NC(c2n(ccn2)C)C(C)C)(Cc2c(C1)cccc2)N(C)C
• Canonical SMILES: CC(C(c1nccn1C)NC(=O)C1(Cc2c(C1)cccc2)N(C)C)C
• InChI: InChI=1S/C20H28N4O/c1-14(2)17(18-21-10-11-24(18)5)22-19(25)20(23(3)4)12-15-8-6-7-9-16(15)13-20/h6-11,14,17H,12-13H2,1-5H3,(H,22,25)
• InChIKey: YPLYBKLRHKBBIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-(dimethylamino)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.928272
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.024382627
• LogD (pH = 7.4): 2.241405
• Log P: 2.7849283
• Molar Refractivity: 100.4594 cm^3
• Polarizability: 38.91762 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.22
• LOG S: -3.58
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5