N-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide

• ChemBase ID: 363320
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(Cc1n(ccn1)Cc1ccccc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(Cc1nccn1Cc1ccccc1)C
• InChI: InChI=1S/C18H21N5O3/c1-22(16(24)8-7-14-17(25)21-18(26)20-14)12-15-19-9-10-23(15)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3,(H2,20,21,25,26)
• InChIKey: AYLJHTPLAFZCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• IUPAC Traditional name: N-[(1-benzylimidazol-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• Synonyms: N-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-(2,5-dioxo-4-imidazolidinyl)-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6367655
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4788242
• LogD (pH = 7.4): 0.015440294
• Log P: 0.033121318
• Molar Refractivity: 94.3497 cm^3
• Polarizability: 36.171604 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.48
• LOG S: -2.69
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7