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2-{3-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine

ChemBase ID: 322330
Molecular Formular: C19H21N5
Molecular Mass: 319.40354
Monoisotopic Mass: 319.1796957
SMILES and InChIs

SMILES:
c1(n(ccn1)Cc1ccncc1)C1CN(c2ncccc2)CCC1
Canonical SMILES:
n1ccc(cc1)Cn1ccnc1C1CCCN(C1)c1ccccn1
InChI:
InChI=1S/C19H21N5/c1-2-8-21-18(5-1)23-12-3-4-17(15-23)19-22-11-13-24(19)14-16-6-9-20-10-7-16/h1-2,5-11,13,17H,3-4,12,14-15H2
InChIKey:
DQXRISPEKIWBLV-UHFFFAOYSA-N

Cite this record

CBID:322330 http://www.chembase.cn/molecule-322330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{3-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine
IUPAC Traditional name
2-{3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyridine
Synonyms
2-{3-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11274672 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) 0.5520465  LogD (pH = 7.4) 2.4657223 
Log P 2.6187558  Molar Refractivity 95.0333 cm3
Polarizability 35.835026 Å3 Polar Surface Area 46.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.3  LOG S -1.34 
Polar Surface Area 46.84 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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