N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 474528
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1(nc(cc1C)C)C(CNC(=O)c1cc(N2C(=O)NCC2)c(cc1)C)C
• Canonical SMILES: Cc1cc(n(n1)C(CNC(=O)c1ccc(c(c1)N1CCNC1=O)C)C)C
• InChI: InChI=1S/C19H25N5O2/c1-12-5-6-16(10-17(12)23-8-7-20-19(23)26)18(25)21-11-15(4)24-14(3)9-13(2)22-24/h5-6,9-10,15H,7-8,11H2,1-4H3,(H,20,26)(H,21,25)
• InChIKey: MHPSWTJRANXLRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8060055
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3556641
• LogD (pH = 7.4): 1.3584177
• Log P: 1.358453
• Molar Refractivity: 111.81 cm^3
• Polarizability: 37.519676 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.22
• LOG S: -2.83
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5