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2-{2-chloro-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]phenoxy}acetamide

ChemBase ID: 321990
Molecular Formular: C17H15ClN4O2
Molecular Mass: 342.7796
Monoisotopic Mass: 342.08835342
SMILES and InChIs

SMILES:
c1(n(ccn1)Cc1ncccc1)c1cc(c(OCC(=O)N)cc1)Cl
Canonical SMILES:
NC(=O)COc1ccc(cc1Cl)c1nccn1Cc1ccccn1
InChI:
InChI=1S/C17H15ClN4O2/c18-14-9-12(4-5-15(14)24-11-16(19)23)17-21-7-8-22(17)10-13-3-1-2-6-20-13/h1-9H,10-11H2,(H2,19,23)
InChIKey:
ISURTKADUHWAAZ-UHFFFAOYSA-N

Cite this record

CBID:321990 http://www.chembase.cn/molecule-321990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-chloro-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]phenoxy}acetamide
IUPAC Traditional name
2-{2-chloro-4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]phenoxy}acetamide
Synonyms
2-{2-chloro-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]phenoxy}acetamide

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 14.357835  H Acceptors
H Donor LogD (pH = 5.5) 1.1266408 
LogD (pH = 7.4) 1.7870027  Log P 1.8089088 
Molar Refractivity 100.1194 cm3 Polarizability 35.327736 Å3
Polar Surface Area 83.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.32  LOG S -1.53 
Polar Surface Area 83.03 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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