2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1h-Benzimidazole

Basic Information

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CAS Number

1255517-76-0

Molecular Formula

C19H21F3N6

Molecular Weight

390.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

N/A℃

Boiling Point

572.8±50.0 °C at 760 mmHg

Flash Point

300.2±30.1 °C

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

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CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)

InChIKey

FBLPQCAQRNSVHB-UHFFFAOYSA-N

LogP

3.2563000000000013

Topological Polar Surface Area

60.940000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

510

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

PF-4708671
PF 4708671
1H-Benzimidazole (2-[[4-(5-ethyl-4-pyrimidinyl)-1-piperazinyl]methyl]-6-(trifluoromethyl)
2-((4-(5-Ethylpyrimidin-4-yl)piperazin-1-yl)methyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole
5FI
HMS3263P20
QC-8396
PF4708671
Q27088333
2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1h-Benzimidazole
DA-46660
EX-A248
AC-33113
2-[[4-(5-ethyl-4-pyrimidinyl)-1-piperazinyl]methyl]-6-(trifluoromethyl)-1H-benzimidazole; PF 4708671;
SMR004702962
2-[[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1H-benzimidazole
Tox21_501279
AS-16311
NCGC00263134-01
AKOS025405226
CCG-222583
DTXSID10680074
2-{[4-(5-ETHYLPYRIMIDIN-4-YL)PIPERAZIN-1-YL]METHYL}-5-(TRIFLUOROMETHYL)-1H-1,3-BENZODIAZOLE
1255517-76-0
HY-15773
HMS3651E14
NCGC00263134-08
AKOS024457939
PF-4708671?
PF-4708671, >=98% (HPLC)
J-005240

MDL Number

MFCD18086922

FAQ

What regulatory guidelines apply to 2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1H-benzimidazole (CAS: 1255517-76-0)?

This compound is subject to various regulatory guidelines. In the European Union, it is regulated under REACH for chemical registration, evaluation, authorization, and restriction. Globally, it must comply with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labeling. FDA and EPA regulations in the United States may also apply for specific uses. Compliance with local and regional regulations is essential.

Are there alternatives to 2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1H-benzimidazole (CAS: 1255517-76-0) in synthesis?

Several alternatives exist for synthesizing similar compounds. Analogous structures like 4-(5-ethylpyrimidin-4-yl)piperazine derivatives or other 1H-benzimidazole derivatives can be used. Substitutes such as different piperazine rings or alternative fluorinated groups can provide similar functionalities with potentially different properties.

What is the market or research trend for 2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1H-benzimidazole (CAS: 1255517-76-0)?

The market for this compound is currently focused on its applications in pharmaceutical research, particularly as an intermediate in the development of antiviral and antiparasitic drugs. Research trends indicate ongoing interest in optimizing synthetic methods and exploring its biological properties in clinical trials.

How should waste containing 2-{[4-(5-Ethylpyrimidin-4-Yl)piperazin-1-Yl]methyl}-5-(Trifluoromethyl)-1H-benzimidazole (CAS: 1255517-76-0) be handled?

Waste containing this compound should be collected in appropriate chemical waste containers and disposed of through professional waste disposal services. Incineration is a common method, with proper control of emissions. Environmental protection guidelines must be followed to prevent contamination of soil and water. Consult local regulations for specific disposal procedures.