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(5-{3-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}furan-2-yl)methanol

ChemBase ID: 370164
Molecular Formular: C20H22N4O3
Molecular Mass: 366.41368
Monoisotopic Mass: 366.16919058
SMILES and InChIs

SMILES:
c1(n(ccn1)Cc1ccncc1)C1CN(C(=O)c2oc(cc2)CO)CCC1
Canonical SMILES:
OCc1ccc(o1)C(=O)N1CCCC(C1)c1nccn1Cc1ccncc1
InChI:
InChI=1S/C20H22N4O3/c25-14-17-3-4-18(27-17)20(26)24-10-1-2-16(13-24)19-22-9-11-23(19)12-15-5-7-21-8-6-15/h3-9,11,16,25H,1-2,10,12-14H2
InChIKey:
YEWYYPSYROOWHZ-UHFFFAOYSA-N

Cite this record

CBID:370164 http://www.chembase.cn/molecule-370164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-{3-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}furan-2-yl)methanol
IUPAC Traditional name
(5-{3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl}furan-2-yl)methanol
Synonyms
[5-({3-[1-(4-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2-furyl]methanol

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.640995  H Acceptors
H Donor LogD (pH = 5.5) -0.27083963 
LogD (pH = 7.4) 0.61313635  Log P 0.64481735 
Molar Refractivity 100.4042 cm3 Polarizability 37.859592 Å3
Polar Surface Area 84.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.3  LOG S -1.62 
Polar Surface Area 84.39 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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