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dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)ethyl]amine

ChemBase ID: 340272
Molecular Formular: C20H24N4
Molecular Mass: 320.43136
Monoisotopic Mass: 320.20009679
SMILES and InChIs

SMILES:
c1(n(ccn1)CCc1ncccc1)c1cc(C(N(C)C)C)ccc1
Canonical SMILES:
CN(C(c1cccc(c1)c1nccn1CCc1ccccn1)C)C
InChI:
InChI=1S/C20H24N4/c1-16(23(2)3)17-7-6-8-18(15-17)20-22-12-14-24(20)13-10-19-9-4-5-11-21-19/h4-9,11-12,14-16H,10,13H2,1-3H3
InChIKey:
OADKLFFAUSWJGQ-UHFFFAOYSA-N

Cite this record

CBID:340272 http://www.chembase.cn/molecule-340272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)ethyl]amine
IUPAC Traditional name
dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]imidazol-2-yl}phenyl)ethyl]amine
Synonyms
N,N-dimethyl-1-{3-[1-(2-pyridin-2-ylethyl)-1H-imidazol-2-yl]phenyl}ethanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.78504777  LogD (pH = 7.4) 1.3891388 
Log P 3.2864792  Molar Refractivity 108.6055 cm3
Polarizability 38.57584 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.31  LOG S -1.2 
Polar Surface Area 33.95 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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