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1-benzyl-4-{2-[2-(propan-2-yl)pyrimidin-4-yl]-1H-imidazol-1-yl}pyrrolidin-2-one

ChemBase ID: 360389
Molecular Formular: C21H23N5O
Molecular Mass: 361.44022
Monoisotopic Mass: 361.19026038
SMILES and InChIs

SMILES:
n1(c(c2nc(ncc2)C(C)C)ncc1)C1CC(=O)N(C1)Cc1ccccc1
Canonical SMILES:
O=C1CC(CN1Cc1ccccc1)n1ccnc1c1ccnc(n1)C(C)C
InChI:
InChI=1S/C21H23N5O/c1-15(2)20-22-9-8-18(24-20)21-23-10-11-26(21)17-12-19(27)25(14-17)13-16-6-4-3-5-7-16/h3-11,15,17H,12-14H2,1-2H3
InChIKey:
ZTELGJFAJAQMSC-UHFFFAOYSA-N

Cite this record

CBID:360389 http://www.chembase.cn/molecule-360389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-4-{2-[2-(propan-2-yl)pyrimidin-4-yl]-1H-imidazol-1-yl}pyrrolidin-2-one
IUPAC Traditional name
1-benzyl-4-[2-(2-isopropylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-one
Synonyms
1-benzyl-4-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]pyrrolidin-2-one

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 2.17 
LOG S -3.69  Polar Surface Area 63.91 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.2639673 
LogD (pH = 7.4) 3.265695  Log P 3.265717 
Molar Refractivity 113.8426 cm3 Polarizability 40.357525 Å3
Polar Surface Area 63.91 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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