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

• ChemBase ID: 764204
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCn2nccc2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCCn1cccn1
• InChI: InChI=1S/C16H19N5O2/c1-12-3-4-13(11-14(12)21-10-7-18-16(21)23)15(22)17-6-9-20-8-2-5-19-20/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,22)(H,18,23)
• InChIKey: JIFRNVVRWYLOKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[2-(pyrazol-1-yl)ethyl]benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.809186
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6108137
• LogD (pH = 7.4): 0.6109448
• Log P: 0.61094654
• Molar Refractivity: 97.65 cm^3
• Polarizability: 32.168694 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: -0.05
• LOG S: -2.75
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5