N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 661837
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: C1(=O)N(CCNC(=O)c2cc(n3nccc3)ccc2)CCN1
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1cccc(c1)n1cccn1
• InChI: InChI=1S/C15H17N5O2/c21-14(16-6-9-19-10-7-17-15(19)22)12-3-1-4-13(11-12)20-8-2-5-18-20/h1-5,8,11H,6-7,9-10H2,(H,16,21)(H,17,22)
• InChIKey: CGEPYSJRRDFDIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(pyrazol-1-yl)benzamide
• Synonyms: N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.09746783
• LogD (pH = 7.4): 0.0975242
• Log P: 0.097525135
• Molar Refractivity: 82.2895 cm^3
• Polarizability: 31.07867 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.666472
• H Acceptors: 3
• H Donor: 2

供应商提供(Chembridge)

• Log P: 0.43
• LOG S: -1.75
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 2