2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide

• ChemBase ID: 818233
• Molecular Formular: C18H23N5O4
• Molecular Mass: 373.40632
• Monoisotopic Mass: 373.17500424
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)C)C)C
• Canonical SMILES: COc1ccc2c(c1)nc([nH]2)CCN(C(=O)CC1N(C)C(=O)N(C1=O)C)C
• InChI: InChI=1S/C18H23N5O4/c1-21(16(24)10-14-17(25)23(3)18(26)22(14)2)8-7-15-19-12-6-5-11(27-4)9-13(12)20-15/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,20)
• InChIKey: CQIYDXMFJKYHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[2-(5-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.13491
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7290725
• LogD (pH = 7.4): -0.28310043
• Log P: -0.27226725
• Molar Refractivity: 96.9971 cm^3
• Polarizability: 38.50566 Å^3
• Polar Surface Area: 98.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.28
• LOG S: -2.99
• Polar Surface Area: 98.84 Å^2
• Rotatable Bonds: 6