2-Phenyl-4-(trifluoromethyl)imidazole - CAS 33469-36-2

Catalog:	BB021729
Product Name:	2-Phenyl-4-(trifluoromethyl)imidazole
CAS:	33469-36-2
Synonyms:	2-phenyl-5-(trifluoromethyl)-1H-imidazole; 2-phenyl-5-(trifluoromethyl)-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-phenyl-5-(trifluoromethyl)-1H-imidazole
Description:	2-Phenyl-4-(trifluoromethyl)imidazole (CAS# 33469-36-2) is a useful research chemical.
Molecular Weight:	212.17
Molecular Formula:	C10H7F3N2
Canonical SMILES:	C1=CC=C(C=C1)C2=NC=C(N2)C(F)(F)F
InChI:	InChI=1S/C10H7F3N2/c11-10(12,13)8-6-14-9(15-8)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:	BNLUKQUPRXZCDA-UHFFFAOYSA-N
Boiling Point:	336.8 °C at 760 mmHg
Density:	1.327 g/cm³
LogP:	3.09550

Publication Number	Title	Priority Date
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021188911-A1	Cyclic sulfonamide derivatives as trap1 modulators and uses thereof	20200320
EP-3191449-A1	Novel compounds as rearranged during transfection (ret) inhibitors	20140910
WO-2016037578-A1	Novel compounds as rearranged during transfection (ret) inhibitors	20140910

PMID	Publication Date	Title	Journal
20057900	20090101	Nitric oxide and coronary vascular endothelium adaptations in hypertension	Vascular health and risk management
17605607	20070701	Effect of voltage-gated and capacitative calcium entry blockade on agonist-induced constriction of equine laminar blood vessels	American journal of veterinary research
17254342	20070101	The rheumatoid arthritis shared epitope increases cellular susceptibility to oxidative stress by antagonizing an adenosine-mediated anti-oxidative pathway	Arthritis research & therapy
16334943	20051101	Effects of induction of capacitative calcium entry on equine laminar microvessels	American journal of veterinary research
11564639	20010901	Selective inhibition of thapsigargin-induced contraction and capacitative calcium entry in mouse anococcygeus by trifluoromethylphenylimidazole (TRIM)	British journal of pharmacology

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Related Functional Groups

Imidazoles

[676372-30-8]
1-Benzyl-1H-imidazole-4-carboxylic acid
[5317-07-7]
1-Benzyl-1H-imidazole-5-carboxylic acid
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate
[177760-04-2]
Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
[76182-29-1]
ethyl 5-chloro-1H-imidazole-4-carboxylate
[694-68-8]
Methylthiohydantoin

Complexity:	211
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:	2.6