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5-{[2-(3-methoxyphenyl)azetidin-1-yl]methyl}-1-(propan-2-yl)-1H-imidazole

ChemBase ID: 340865
Molecular Formular: C17H23N3O
Molecular Mass: 285.38402
Monoisotopic Mass: 285.18411237
SMILES and InChIs

SMILES:
c1(n(cnc1)C(C)C)CN1C(CC1)c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)C1CCN1Cc1cncn1C(C)C
InChI:
InChI=1S/C17H23N3O/c1-13(2)20-12-18-10-15(20)11-19-8-7-17(19)14-5-4-6-16(9-14)21-3/h4-6,9-10,12-13,17H,7-8,11H2,1-3H3
InChIKey:
OMSNRKMSCSAEMZ-UHFFFAOYSA-N

Cite this record

CBID:340865 http://www.chembase.cn/molecule-340865.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{[2-(3-methoxyphenyl)azetidin-1-yl]methyl}-1-(propan-2-yl)-1H-imidazole
IUPAC Traditional name
1-isopropyl-5-{[2-(3-methoxyphenyl)azetidin-1-yl]methyl}imidazole
Synonyms
1-isopropyl-5-{[2-(3-methoxyphenyl)azetidin-1-yl]methyl}-1H-imidazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13939307 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.7015547  LogD (pH = 7.4) 2.0116725 
Log P 2.2282364  Molar Refractivity 85.1395 cm3
Polarizability 32.86186 Å3 Polar Surface Area 30.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.29  LOG S -1.38 
Polar Surface Area 30.29 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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