5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid

Basic Information

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CAS Number

81335-77-5

Molecular Formula

C15H19N3O3

Molecular Weight

289.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

169-173 ºC

Boiling Point

431.49°C (rough estimate)

Density

1.1302 (rough estimate)

Refractive Index

1.5600 (estimate)

SMILES

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CCc1cc(c(nc1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O

InChI

InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)

InChIKey

XVOKUMIPKHGGTN-UHFFFAOYSA-N

LogP

1.6333

pKa

pK1 2.1; pK2 3.9(at 25℃)

Topological Polar Surface Area

91.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

475

Safety Information

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Toxicity

LD50 orally in rats and mice: >5000 mg/kg; dermally in rabbits: >2000 mg/kg (Peoples)

Synonyms & References

English

5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid
5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid
(+-)-midazol-2-yl)-5-ethyl
5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-5-ethyl-2-((+-)-3-pyridinecarboxylicaci
5-dihydro-4-methyl-4(1-methylethyl)-5-oxo-1h-imidazol-2yl)-5-ethyl-3-(+-)-2-(
ac263,499
(RS)-5-ETHYL-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)-NICOTINIC ACID
PURSUIT
PURSUIT DG
PURSUIT(R)
Pursuit,2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid
(+/-)-2-[4,5-dihydro-4-methyl-4-(1-methyltheyl)-5-oxo-1Himidazol-2-yl]-5-ethyl-3-pyridinecarboxy acid
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Imazethapyr
Imazethapyr Solution
2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxy
5-ethyl-2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinic acid
rac-5-ethyl-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
Pursuit DG
5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid

MDL Number

MFCD00274561

FAQ

What is 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5)?

5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5) is a synthetic organic compound belonging to the class of nicotinic acid derivatives. It contains an imidazole ring fused to a pyridine ring, with additional substituents including ethyl, isopropyl, and methyl groups. This compound is known for its complex structure and potential applications in medicinal chemistry.

What are the main uses of 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5)?

This compound is primarily used in pharmaceutical research for its potential therapeutic properties. It may serve as a lead compound in the development of drugs targeting metabolic disorders or neurological conditions. Additionally, it is used in chemical synthesis and as a research tool in organic chemistry.

Is 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5) safe?

The safety of 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5) depends on its application. It is generally considered safe when handled properly in laboratory settings. However, protective measures such as gloves and proper ventilation should be used to minimize exposure. Safety data is limited, and further studies are recommended for comprehensive risk assessment.

How should 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5) be stored?

5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81335-77-5) should be stored in a cool, dry place away from light. It is best kept in a sealed container at a temperature below 25°C and in a humidity-controlled environment to maintain stability and prevent degradation.