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2-(3-hydroxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
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ChemBase ID:
410289
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Molecular Formular:
C15H17N3O2
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Molecular Mass:
271.31438
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Monoisotopic Mass:
271.1320768
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SMILES and InChIs
SMILES:
c1(n2c(nc1)CCCC2)NC(=O)Cc1cc(O)ccc1
Canonical SMILES:
O=C(Nc1cnc2n1CCCC2)Cc1cccc(c1)O
InChI:
InChI=1S/C15H17N3O2/c19-12-5-3-4-11(8-12)9-15(20)17-14-10-16-13-6-1-2-7-18(13)14/h3-5,8,10,19H,1-2,6-7,9H2,(H,17,20)
InChIKey:
QHGFESOLNAIUPN-UHFFFAOYSA-N
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Cite this record
CBID:410289 http://www.chembase.cn/molecule-410289.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(3-hydroxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
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IUPAC Traditional name
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2-(3-hydroxyphenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
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Synonyms
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2-(3-hydroxyphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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9.43834
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.0513213
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LogD (pH = 7.4)
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1.6965208
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Log P
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1.730864
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Molar Refractivity
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76.6656 cm3
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Polarizability
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28.70709 Å3
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Polar Surface Area
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67.15 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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2
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Log P
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1.07
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LOG S
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-1.51
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Polar Surface Area
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67.15 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent