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2-(2,3-difluoro-6-methoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1H-imidazole

ChemBase ID: 420210
Molecular Formular: C16H16F2N4O
Molecular Mass: 318.3212464
Monoisotopic Mass: 318.12921759
SMILES and InChIs

SMILES:
c1(c2c(c(ccc2OC)F)F)n(Cc2n(ccn2)CC)ccn1
Canonical SMILES:
COc1ccc(c(c1c1nccn1Cc1nccn1CC)F)F
InChI:
InChI=1S/C16H16F2N4O/c1-3-21-8-6-19-13(21)10-22-9-7-20-16(22)14-12(23-2)5-4-11(17)15(14)18/h4-9H,3,10H2,1-2H3
InChIKey:
DHTFHEYNOOYNNG-UHFFFAOYSA-N

Cite this record

CBID:420210 http://www.chembase.cn/molecule-420210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,3-difluoro-6-methoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1H-imidazole
IUPAC Traditional name
2-(2,3-difluoro-6-methoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]imidazole
Synonyms
2-(2,3-difluoro-6-methoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1H-imidazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.4532973  LogD (pH = 7.4) 2.4198318 
Log P 2.4906082  Molar Refractivity 92.4468 cm3
Polarizability 31.082804 Å3 Polar Surface Area 44.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -2.78 
Polar Surface Area 44.87 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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