N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 838485
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCc1nc2c([nH]1)cccc2)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C16H19N5O3/c1-20-12(15(23)21(2)16(20)24)9-14(22)17-8-7-13-18-10-5-3-4-6-11(10)19-13/h3-6,12H,7-9H2,1-2H3,(H,17,22)(H,18,19)
• InChIKey: HHCVDGYGEFUCMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.804029
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.56498
• LogD (pH = 7.4): -0.342118
• Log P: -0.33827206
• Molar Refractivity: 85.6372 cm^3
• Polarizability: 34.13531 Å^3
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.0
• LOG S: -2.06
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 5