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

• ChemBase ID: 364999
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(CCCc2n(ccn2)C)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(CCCc1nccn1C)C
• InChI: InChI=1S/C19H25N5O2/c1-14-6-7-15(13-16(14)24-12-9-21-19(24)26)18(25)23(3)10-4-5-17-20-8-11-22(17)2/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,21,26)
• InChIKey: FWPHFJIQIWLGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N,4-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2999994
• LogD (pH = 7.4): 0.99500996
• Log P: 1.0335612
• Molar Refractivity: 100.7998 cm^3
• Polarizability: 37.60196 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.56
• LOG S: -2.62
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6