5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide

Basic Information

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CAS Number

660868-91-7

Molecular Formula

C22H18F3N3O4S

Molecular Weight

477.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

609.118 °C at 760 mmHg

Density

1.455

Flash Point

322.183 °C

Solubility

DMSO: >10mg/mL

SMILES

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COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC

InChI

InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)

InChIKey

JSKUWFIZUALZLX-UHFFFAOYSA-N

LogP

4.800900000000002

Topological Polar Surface Area

88.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

688

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

BRD-K90382497-001-01-6
Polo-like Kinase Inhibitor III
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
GW 843682X
thiophene deriv., 20
GW 843682X; GW-843682X
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide
5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
SR-03000003273-1
HMS3303O23
GW843682X
HMS3305I14
GW-843682X
HMS3265C08
HMS3267H10
HMS3677H06
MS-28855
AB01092184-01
BDBM25120
BCP27639
5-(5,6-Dimethoxy-benzoimidazol-1-yl-3-(2-trifluoromethyl-benzyloxy)-thiophene-2-carboxylic acid amide
Polo-like Kinase Inhibitor III - CAS 660868-91-7
NSC756404
GW843682X, >=98% (HPLC), solid
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
HMS3265C07
HMS3265D07
GW843682, 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide
Q27163216
Kinome_3462
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide

MDL Number

MFCD09971143

FAQ

What regulatory guidelines apply to 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7)?

Regulatory guidelines for 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) include GHS classification, which categorizes it based on its flammability, reactivity, and toxicity. Additionally, it must comply with REACH regulations for the European market, ensuring it meets safety and environmental standards. In the US, it adheres to FDA and EPA guidelines, focusing on safe handling, storage, and disposal.

Are there alternatives to 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) in synthesis?

Synthesis alternatives to 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) include the use of closely related compounds such as analogs with similar functional groups. Common alternatives include isomers or reagents with similar chemical properties, such as 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-2-thiophenecarboxamide, which may serve similar purposes in various applications.

What is the market or research trend for 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7)?

The market and research trends for 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) are driven by its potential in pharmaceuticals and agrochemicals. Research is focused on its biological activity, particularly in antiviral and anticancer applications. Market trends indicate increasing demand in these sectors, driven by advancements in drug discovery and development.

How should waste containing 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) be handled?

Waste containing 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxamide (CAS: 660868-91-7) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection precautions include ensuring no release of hazardous substances into the environment. Adhering to local and international waste management regulations is crucial to ensure safe disposal.