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ethyl 1-(1-benzylpyrrolidin-3-yl)-1H-imidazole-2-carboxylate

ChemBase ID: 410227
Molecular Formular: C17H21N3O2
Molecular Mass: 299.36754
Monoisotopic Mass: 299.16337693
SMILES and InChIs

SMILES:
c1(n(C2CN(CC2)Cc2ccccc2)ccn1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1nccn1C1CCN(C1)Cc1ccccc1
InChI:
InChI=1S/C17H21N3O2/c1-2-22-17(21)16-18-9-11-20(16)15-8-10-19(13-15)12-14-6-4-3-5-7-14/h3-7,9,11,15H,2,8,10,12-13H2,1H3
InChIKey:
DDUZWNLTDSSUEG-UHFFFAOYSA-N

Cite this record

CBID:410227 http://www.chembase.cn/molecule-410227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-(1-benzylpyrrolidin-3-yl)-1H-imidazole-2-carboxylate
IUPAC Traditional name
ethyl 1-(1-benzylpyrrolidin-3-yl)imidazole-2-carboxylate
Synonyms
ethyl 1-(1-benzylpyrrolidin-3-yl)-1H-imidazole-2-carboxylate

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.5436714  LogD (pH = 7.4) 1.2128075 
Log P 2.3076012  Molar Refractivity 85.3589 cm3
Polarizability 32.93373 Å3 Polar Surface Area 47.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.33  LOG S -2.37 
Polar Surface Area 47.36 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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