Lot numbers can be found on the outside label of a product:
2-(1H-Benzo[d]imidazol-1-yl)acetic acid
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CAS No. 40332-16-9
- Cat. No. CS-0045375
- Purity≥98%
- MDL No.MFCD00956879
*For research and further manufacturing use only, not for direct human use.
![2-(1H-Benzo[d]imidazol-1-yl)acetic acid|CS-0045375](https://file.chemscene.com/productPIC/CS-0045375.gif)
Structure of 40332-16-9
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General Information
- CAS No. 40332-16-9
- Cat. No. CS-0045375
- Purity ≥98%
- MDL No. MFCD00956879
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈N₂O₂
- Molecular Weight 176.18
- Synonym(s) TIMTEC-BB SBB010151
- SMILES OC(=O)CN1C=NC2=C1C=CC=C2
Description
2-(1H-Benzo[d]imidazol-1-yl)acetic acid features a benzimidazole core linked via a methylene bridge to a carboxylic acid group, enabling integration into bioactive molecules. The aromatic imidazole moiety imparts strong hydrogen-bonding capacity and enhanced metabolic stability. This scaffold supports efficient conjugation in medicinal chemistry campaigns targeting receptor modulation.
Application
2-(1H-Benzo[d]imidazol-1-yl)acetic acid serves as a versatile building block for bioactive heterocycles, enabling efficient incorporation of the benzimidazole pharmacophore into drug-like scaffolds. Its carboxylic acid functionality facilitates conjugation via amide or ester linkages, while the benzoimidazole moiety provides structural rigidity and hydrogen-bonding capacity. The compound exhibits good bench stability and compatibility with standard peptide coupling protocols, supporting its use in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active agents.
Synthesis
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Route1
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503140-97-4 - ~48%
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In-stock
40332-16-9
References
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VICURON PHARMACEUTICALS INC. Patent: US2006/211603 A1, 2006 ; Location in patent: Page/Page column 57 ;
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Route2
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In-stock
51-17-2 - ~%
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In-stock
40332-16-9
References
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Cacace et al. Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1957 , vol. <8> 22, p. 510,512
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Route3
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In-stock
51-17-2
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79-11-8
- ~64%
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In-stock
40332-16-9
References
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Halwe, Kirti; Srivastava, Santosh Kumar Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1994 , vol. 33, # 7 p. 710 - 713
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.12
- LogP 1.1209
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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