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2-[4-(5-methyl-4-phenyl-1H-imidazol-1-yl)butyl]pyridine

ChemBase ID: 340048
Molecular Formular: C19H21N3
Molecular Mass: 291.39014
Monoisotopic Mass: 291.17354769
SMILES and InChIs

SMILES:
n1c(c(n(c1)CCCCc1ncccc1)C)c1ccccc1
Canonical SMILES:
Cc1n(CCCCc2ccccn2)cnc1c1ccccc1
InChI:
InChI=1S/C19H21N3/c1-16-19(17-9-3-2-4-10-17)21-15-22(16)14-8-6-12-18-11-5-7-13-20-18/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3
InChIKey:
HMBZSTSULMQUIX-UHFFFAOYSA-N

Cite this record

CBID:340048 http://www.chembase.cn/molecule-340048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(5-methyl-4-phenyl-1H-imidazol-1-yl)butyl]pyridine
IUPAC Traditional name
2-[4-(5-methyl-4-phenylimidazol-1-yl)butyl]pyridine
Synonyms
2-[4-(5-methyl-4-phenyl-1H-imidazol-1-yl)butyl]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13817923 external link Add to cart
Data Source Data ID Price
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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) 2.8634605  LogD (pH = 7.4) 3.8327441 
Log P 3.869604  Molar Refractivity 89.8123 cm3
Polarizability 35.851776 Å3 Polar Surface Area 30.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.56  LOG S -3.07 
Polar Surface Area 30.71 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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