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

ChemBase ID: 470025
Molecular Formular: C17H19N5O3
Molecular Mass: 341.36446
Monoisotopic Mass: 341.14878949
SMILES and InChIs

SMILES:
N1C(=O)NC(C1=O)CC(=O)N(Cc1n(ccn1)Cc1ccccc1)C
Canonical SMILES:
O=C1NC(=O)C(N1)CC(=O)N(Cc1nccn1Cc1ccccc1)C
InChI:
InChI=1S/C17H19N5O3/c1-21(15(23)9-13-16(24)20-17(25)19-13)11-14-18-7-8-22(14)10-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H2,19,20,24,25)
InChIKey:
LTAUGXXJGURRNU-UHFFFAOYSA-N

Cite this record

CBID:470025 http://www.chembase.cn/molecule-470025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1-benzyl-1H-imidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
IUPAC Traditional name
N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
Synonyms
N-[(1-benzyl-1H-imidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.627452  H Acceptors
H Donor LogD (pH = 5.5) -0.76748616 
LogD (pH = 7.4) -0.2732755  Log P -0.2555399 
Molar Refractivity 89.5947 cm3 Polarizability 34.339207 Å3
Polar Surface Area 96.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.66  LOG S -2.44 
Polar Surface Area 96.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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