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

• ChemBase ID: 381431
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC(c2n(ccn2)C)CCC)ccc1C
• Canonical SMILES: CCCC(c1nccn1C)NC(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C19H25N5O2/c1-4-5-15(17-20-8-10-23(17)3)22-18(25)14-7-6-13(2)16(12-14)24-11-9-21-19(24)26/h6-8,10,12,15H,4-5,9,11H2,1-3H3,(H,21,26)(H,22,25)
• InChIKey: IZVAVRIGFWXKSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.826812
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3101902
• LogD (pH = 7.4): 1.8049955
• Log P: 1.8200665
• Molar Refractivity: 100.0676 cm^3
• Polarizability: 37.600643 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.89
• LOG S: -2.55
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6