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2-(2-methyl-1H-1,3-benzodiazol-1-yl)-1-[2-(pyridin-2-yl)piperidin-1-yl]ethan-1-one

ChemBase ID: 470102
Molecular Formular: C20H22N4O
Molecular Mass: 334.41488
Monoisotopic Mass: 334.17936134
SMILES and InChIs

SMILES:
n1(c(nc2c1cccc2)C)CC(=O)N1C(c2ncccc2)CCCC1
Canonical SMILES:
O=C(N1CCCCC1c1ccccn1)Cn1c(C)nc2c1cccc2
InChI:
InChI=1S/C20H22N4O/c1-15-22-17-9-2-3-10-19(17)24(15)14-20(25)23-13-7-5-11-18(23)16-8-4-6-12-21-16/h2-4,6,8-10,12,18H,5,7,11,13-14H2,1H3
InChIKey:
XMVFPRCDRMAQQX-UHFFFAOYSA-N

Cite this record

CBID:470102 http://www.chembase.cn/molecule-470102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methyl-1H-1,3-benzodiazol-1-yl)-1-[2-(pyridin-2-yl)piperidin-1-yl]ethan-1-one
IUPAC Traditional name
2-(2-methyl-1,3-benzodiazol-1-yl)-1-[2-(pyridin-2-yl)piperidin-1-yl]ethanone
Synonyms
2-methyl-1-{2-oxo-2-[2-(2-pyridinyl)-1-piperidinyl]ethyl}-1H-benzimidazole

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.7226948  LogD (pH = 7.4) 2.3545654 
Log P 2.3752327  Molar Refractivity 95.8269 cm3
Polarizability 38.484844 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.77  LOG S -2.7 
Polar Surface Area 51.02 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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