2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]acetamide

• ChemBase ID: 836571
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCc1nc2c(n1CC)cccc2
• Canonical SMILES: CCn1c(CCNC(=O)CN2C(=O)NCC2=O)nc2c1cccc2
• InChI: InChI=1S/C16H19N5O3/c1-2-20-12-6-4-3-5-11(12)19-13(20)7-8-17-14(22)10-21-15(23)9-18-16(21)24/h3-6H,2,7-10H2,1H3,(H,17,22)(H,18,24)
• InChIKey: BLHNAVZNYICXIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(1-ethyl-1,3-benzodiazol-2-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[2-(1-ethyl-1H-benzimidazol-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.953572
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.59752077
• LogD (pH = 7.4): -0.4330494
• Log P: -0.43043312
• Molar Refractivity: 85.9411 cm^3
• Polarizability: 34.056633 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.2
• LOG S: -3.08
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 6