N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide

• ChemBase ID: 637450
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: c1(nc2c([nH]1)cccc2)C(NC(=O)Cn1c(=O)nccc1)C
• Canonical SMILES: O=C(Cn1cccnc1=O)NC(c1nc2c([nH]1)cccc2)C
• InChI: InChI=1S/C15H15N5O2/c1-10(14-18-11-5-2-3-6-12(11)19-14)17-13(21)9-20-8-4-7-16-15(20)22/h2-8,10H,9H2,1H3,(H,17,21)(H,18,19)
• InChIKey: PSXKXBQVCQBWDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
• Synonyms: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxopyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.38576
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.0150421765
• LogD (pH = 7.4): 0.12302491
• Log P: 0.12464837
• Molar Refractivity: 80.123 cm^3
• Polarizability: 31.549765 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -2.81
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 4