Description

1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one (CAS No. 2147-83-3) is a high-purity heterocyclic organic compound with the molecular formula C₁₂H₁₃N₃O. This benzimidazole derivative features a tetrahydropyridinyl substituent, making it a valuable intermediate in pharmaceutical and biochemical research. With a molecular weight of 215.25 g/mol, it is supplied as a fine white to off-white crystalline powder, ensuring optimal solubility and reactivity for synthetic applications. Ideal for medicinal chemistry, this compound is rigorously tested via HPLC, NMR, and mass spectrometry to guarantee ≥98% purity. Store in a cool, dry environment (2-8°C) under inert conditions to maintain stability. Suitable for use in drug discovery, kinase inhibition studies, and as a scaffold for novel bioactive molecules.

Properties

• CAS Number: 2147-83-3
• Complexity: 326
• IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
• InChI: InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)
• InChI Key: YFEOSTXFQCDCAR-UHFFFAOYSA-N
• Exact Mass: 215.105862047
• Molecular Formula: C12H13N3O
• Molecular Weight: 215.25
• SMILES: C1CNCC=C1N2C3=CC=CC=C3NC2=O
• Topological: 44.4
• Monoisotopic Mass: 215.105862047
• Solubility: >32.3 [ug/mL]
• Synonyms: 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one, DTXSID10175753, EINECS 218-415-2, NSC 88883, DTXCID7098244, 218-415-2, 2147-83-3, 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one, 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one, 1-(1,2,3,6-Tetrahydro-4-pyridyl)-2-benzimidazolinone, 1-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one, MLS000737175, 1-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, SMR000528403, 1-(4-1,2,5,6-tetrahydropyridyl)-3-hydrobenzimidazol-2-one, Droperidol Imp. A (EP); 1-(1,2,3,6-Tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one; Droperidol Impurity A, NSC88883, MLS001359872, SCHEMBL2895027, SCHEMBL5121168, CHEMBL1560353, HMS2858B19, BCP26441, MFCD00044827, NSC-88883, SBB003398, AKOS015855694, GF-0125, NCGC00246897-01, PD014418, ST080669, DB-005634, CS-0188237, NS00049276, T3085, EN300-25870, T72079

Application

This benzimidazole derivative is primarily utilized as a key intermediate in the synthesis of pharmacologically active compounds, particularly in the development of kinase inhibitors and CNS-targeting agents. Researchers employ it in structure-activity relationship (SAR) studies due to its versatile heterocyclic core. The tetrahydropyridinyl moiety enhances binding affinity to biological targets, making it valuable for neuropharmacology research. It has also shown potential in the development of antitumor and antiviral agents.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.