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2-[3-({5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenyl-1H-imidazol-1-yl}methyl)piperidin-1-yl]ethan-1-ol

ChemBase ID: 460303
Molecular Formular: C24H29N3O2
Molecular Mass: 391.50596
Monoisotopic Mass: 391.22597718
SMILES and InChIs

SMILES:
n1(c(c(nc1)c1ccccc1)/C(=C/c1occc1)/C)CC1CN(CCC1)CCO
Canonical SMILES:
OCCN1CCCC(C1)Cn1cnc(c1/C(=C/c1ccco1)/C)c1ccccc1
InChI:
InChI=1S/C24H29N3O2/c1-19(15-22-10-6-14-29-22)24-23(21-8-3-2-4-9-21)25-18-27(24)17-20-7-5-11-26(16-20)12-13-28/h2-4,6,8-10,14-15,18,20,28H,5,7,11-13,16-17H2,1H3/b19-15+
InChIKey:
VOXIEGMQCJBAOX-XDJHFCHBSA-N

Cite this record

CBID:460303 http://www.chembase.cn/molecule-460303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-({5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenyl-1H-imidazol-1-yl}methyl)piperidin-1-yl]ethan-1-ol
IUPAC Traditional name
2-[3-({5-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-4-phenylimidazol-1-yl}methyl)piperidin-1-yl]ethanol
Synonyms
2-[3-({5-[(E)-2-(2-furyl)-1-methylvinyl]-4-phenyl-1H-imidazol-1-yl}methyl)piperidin-1-yl]ethanol

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)
Acid pKa 15.59324  H Acceptors
H Donor LogD (pH = 5.5) 0.07972488 
LogD (pH = 7.4) 1.6710085  Log P 3.5698726 
Molar Refractivity 117.1415 cm3 Polarizability 46.090046 Å3
Polar Surface Area 54.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.92  LOG S -4.4 
Polar Surface Area 54.43 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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