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3-{2-[5-(4-methyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyridine

ChemBase ID: 322548
Molecular Formular: C20H19N5
Molecular Mass: 329.39836
Monoisotopic Mass: 329.16404563
SMILES and InChIs

SMILES:
c1(c2nc(c[nH]2)C)c(ncn1CCc1cnccc1)c1ccccc1
Canonical SMILES:
Cc1c[nH]c(n1)c1n(CCc2cccnc2)cnc1c1ccccc1
InChI:
InChI=1S/C20H19N5/c1-15-12-22-20(24-15)19-18(17-7-3-2-4-8-17)23-14-25(19)11-9-16-6-5-10-21-13-16/h2-8,10,12-14H,9,11H2,1H3,(H,22,24)
InChIKey:
RVOMYODIBXZLNB-UHFFFAOYSA-N

Cite this record

CBID:322548 http://www.chembase.cn/molecule-322548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{2-[5-(4-methyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyridine
IUPAC Traditional name
3-{2-[5-(4-methyl-1H-imidazol-2-yl)-4-phenylimidazol-1-yl]ethyl}pyridine
Synonyms
4-methyl-5'-phenyl-3'-(2-pyridin-3-ylethyl)-1H,3'H-2,4'-biimidazole

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 13.428973  H Acceptors
H Donor LogD (pH = 5.5) 2.275085 
LogD (pH = 7.4) 2.8536403  Log P 2.864661 
Molar Refractivity 108.4098 cm3 Polarizability 39.227425 Å3
Polar Surface Area 59.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.63  LOG S -2.55 
Polar Surface Area 59.39 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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