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(5-{1-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

ChemBase ID: 450230
Molecular Formular: C24H25N3O3
Molecular Mass: 403.4736
Monoisotopic Mass: 403.18959168
SMILES and InChIs

SMILES:
c1(n(cnc1c1ccccc1)CC(N1CCCC1)c1occc1)c1oc(cc1)CO
Canonical SMILES:
OCc1ccc(o1)c1n(cnc1c1ccccc1)CC(c1ccco1)N1CCCC1
InChI:
InChI=1S/C24H25N3O3/c28-16-19-10-11-22(30-19)24-23(18-7-2-1-3-8-18)25-17-27(24)15-20(21-9-6-14-29-21)26-12-4-5-13-26/h1-3,6-11,14,17,20,28H,4-5,12-13,15-16H2
InChIKey:
RAJUNSCSFBWOBF-UHFFFAOYSA-N

Cite this record

CBID:450230 http://www.chembase.cn/molecule-450230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-{1-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol
IUPAC Traditional name
(5-{3-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-5-phenylimidazol-4-yl}furan-2-yl)methanol
Synonyms
(5-{1-[2-(2-furyl)-2-pyrrolidin-1-ylethyl]-4-phenyl-1H-imidazol-5-yl}-2-furyl)methanol

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 13.743764  H Acceptors
H Donor LogD (pH = 5.5) 0.0069260555 
LogD (pH = 7.4) 1.6836642  Log P 3.1605809 
Molar Refractivity 115.0055 cm3 Polarizability 46.616795 Å3
Polar Surface Area 67.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.26  LOG S -3.92 
Polar Surface Area 67.57 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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