2-[4-(Trifluoromethyl)phenyl]imidazole - CAS 34898-30-1

Catalog:	BB022349
Product Name:	2-[4-(Trifluoromethyl)phenyl]imidazole
CAS:	34898-30-1
Synonyms:	2-[4-(trifluoromethyl)phenyl]-1H-imidazole; 2-[4-(trifluoromethyl)phenyl]-1H-imidazole

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Computed Properties

IUPAC Name:	2-[4-(trifluoromethyl)phenyl]-1H-imidazole
Description:	2-[4-(Trifluoromethyl)phenyl]imidazole (CAS# 34898-30-1) is a useful research chemical.
Molecular Weight:	212.17
Molecular Formula:	C10H7F3N2
Canonical SMILES:	C1=CC(=CC=C1C2=NC=CN2)C(F)(F)F
InChI:	InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-7(2-4-8)9-14-5-6-15-9/h1-6H,(H,14,15)
InChI Key:	SWDKWZQLMUSLRH-UHFFFAOYSA-N
Boiling Point:	327.084 °C at 760 mmHg
Density:	1.328 g/cm³
LogP:	3.09550

Publication Number	Title	Priority Date
US-2019365714-A1	Compositions and methods for blocking sodium channels	20170124
US-11090289-B2	Compositions and methods for blocking sodium channels	20170124
EP-3442948-A1	Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof	20160413
JP-2019511527-A	PPAR agonists, compounds, pharmaceutical compositions and methods of use thereof	20160413
KR-20180133435-A	PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof	20160413

PMID	Publication Date	Title	Journal
18270316	20080501	Activities of 7-nitroindazole and 1-(2-(trifluoromethylphenyl)-imidazole independent of neuronal nitric-oxide synthase inhibition	The Journal of pharmacology and experimental therapeutics

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.05613272
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.05613272
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8