2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-1-yl)ethyl]acetamide

• ChemBase ID: 847252
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)NCCn1cncc1)Cc1ccccc1
• Canonical SMILES: O=C(CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)NCCn1ccnc1
• InChI: InChI=1S/C23H24N4O2/c1-26-20-10-6-5-9-19(20)23(22(26)29,15-18-7-3-2-4-8-18)16-21(28)25-12-14-27-13-11-24-17-27/h2-11,13,17H,12,14-16H2,1H3,(H,25,28)
• InChIKey: LMNMNVKWJIHRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[2-(imidazol-1-yl)ethyl]acetamide
• Synonyms: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.508973
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5297539
• LogD (pH = 7.4): 1.9940903
• Log P: 2.0614767
• Molar Refractivity: 111.3981 cm^3
• Polarizability: 42.733433 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -3.87
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7