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2-(1-benzothiophen-7-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

ChemBase ID: 410210
Molecular Formular: C14H13N3S
Molecular Mass: 255.33812
Monoisotopic Mass: 255.08301843
SMILES and InChIs

SMILES:
c1(nc2c([nH]1)CCNC2)c1c2sccc2ccc1
Canonical SMILES:
C1NCc2c(C1)[nH]c(n2)c1cccc2c1scc2
InChI:
InChI=1S/C14H13N3S/c1-2-9-5-7-18-13(9)10(3-1)14-16-11-4-6-15-8-12(11)17-14/h1-3,5,7,15H,4,6,8H2,(H,16,17)
InChIKey:
BLKZMUFIOLMFKC-UHFFFAOYSA-N

Cite this record

CBID:410210 http://www.chembase.cn/molecule-410210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-benzothiophen-7-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
IUPAC Traditional name
2-(1-benzothiophen-7-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
Synonyms
2-(1-benzothien-7-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.96317  H Acceptors
H Donor LogD (pH = 5.5) -0.43044907 
LogD (pH = 7.4) 1.2974811  Log P 2.1265798 
Molar Refractivity 83.4778 cm3 Polarizability 29.855967 Å3
Polar Surface Area 40.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.23  LOG S -2.81 
Polar Surface Area 40.71 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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