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N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-5-carboxamide

ChemBase ID: 340207
Molecular Formular: C18H20N4O2
Molecular Mass: 324.377
Monoisotopic Mass: 324.1586259
SMILES and InChIs

SMILES:
n1c2c(n(c1)C)ccc(C(=O)N(Cc1ncccc1)CCOC)c2
Canonical SMILES:
COCCN(C(=O)c1ccc2c(c1)ncn2C)Cc1ccccn1
InChI:
InChI=1S/C18H20N4O2/c1-21-13-20-16-11-14(6-7-17(16)21)18(23)22(9-10-24-2)12-15-5-3-4-8-19-15/h3-8,11,13H,9-10,12H2,1-2H3
InChIKey:
RJEJCTOWRBLION-UHFFFAOYSA-N

Cite this record

CBID:340207 http://www.chembase.cn/molecule-340207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-5-carboxamide
IUPAC Traditional name
N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1,3-benzodiazole-5-carboxamide
Synonyms
N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-benzimidazole-5-carboxamide

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) 1.2347251  LogD (pH = 7.4) 1.3212641 
Log P 1.3224696  Molar Refractivity 91.714 cm3
Polarizability 35.989872 Å3 Polar Surface Area 60.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.03  LOG S -1.55 
Polar Surface Area 60.25 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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