2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-5-carboxamide

• ChemBase ID: 350048
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: C1(=O)N(CCNC(=O)c2cc3cc(oc3cc2)C)CCN1
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1ccc2c(c1)cc(o2)C
• InChI: InChI=1S/C15H17N3O3/c1-10-8-12-9-11(2-3-13(12)21-10)14(19)16-4-6-18-7-5-17-15(18)20/h2-3,8-9H,4-7H2,1H3,(H,16,19)(H,17,20)
• InChIKey: GATCGXHYRRVFFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-5-carboxamide
• IUPAC Traditional name: 2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-5-carboxamide
• Synonyms: 2-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.669651
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.37039116
• LogD (pH = 7.4): 0.37039113
• Log P: 0.37039134
• Molar Refractivity: 77.9186 cm^3
• Polarizability: 30.135057 Å^3
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.45
• LOG S: -2.53
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 4