Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2.8 |
|---|
| Pubchem Sid | 504750739 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750739 |
| Canonical Smiles | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
| IUPAC Name | methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate |
| InChIKey | OPXLLQIJSORQAM-UHFFFAOYSA-N |
| INCHI | 1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) |
| Isomeric SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
| RTECS | EY8600000 |
| Molecular Weight | 295.29 |
| Reaxy-Rn | 688513 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=688513&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | 2-benzimidazolylcarbamic acid esters Aryl-phenylketones Benzoyl derivatives Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-benzimidazolylcarbamic acid ester - Benzophenone - Aryl-phenylketone - Benzimidazole - Benzoyl - Aryl ketone - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Ketone - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | carbamate ester - aromatic ketone - benzimidazoles |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 09, 2026 | M111946 | |
| Certificate of Analysis | Jun 09, 2026 | M111946 | |
| Certificate of Analysis | Jun 09, 2026 | M111946 | |
| Certificate of Analysis | Apr 07, 2025 | M111946 | |
| Certificate of Analysis | Apr 07, 2025 | M111946 | |
| Certificate of Analysis | Apr 07, 2025 | M111946 | |
| Certificate of Analysis | Jan 10, 2023 | M111946 |
| Melt Point(°C) | 288.5°C |
|---|---|
| Molecular Weight | 295.290 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 295.096 Da |
| Monoisotopic Mass | 295.096 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 423.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 6. Han Luo, Yuan Xu, Dongyi Sun, Yi Cheng, Zhenliang Sun, Jing Gao, Yuanjin Zhang, Xin Wang. (2020) Assessment of the inhibition risk of paris saponins, bioactive compounds from Paris polyphylla, on CYP and UGT enzymes via cocktail inhibition assays. REGULATORY TOXICOLOGY AND PHARMACOLOGY, [PMID:32145316] [10.1016/j.yrtph.2020.104637] |
| 7. Jian Lu, Daozhi Liu, Xiaojing Zhou, Ang Chen, Zhenran Jiang, Xiyun Ye, Mingyao Liu, Xin Wang. (2017) Plant natural product plumbagin presents potent inhibitory effect on human cytochrome P450 2J2 enzyme. PHYTOMEDICINE, [PMID:29433675] [10.1016/j.phymed.2017.12.026] |
| 8. Shuowen Tang, Ang Chen, Xiaojing Zhou, Li Zeng, Mingyao Liu, Xin Wang. (2017) Assessment of the inhibition risk of shikonin on cytochrome P450 via cocktail inhibition assay. TOXICOLOGY LETTERS, [PMID:28941798] [10.1016/j.toxlet.2017.09.014] |
| 9. Chen Ang, Zhou Xiaojing, Tang Shuowen, Liu Mingyao, Wang Xin. (2016) Evaluation of the inhibition potential of plumbagin against cytochrome P450 using LC-MS/MS and cocktail approach. Scientific Reports, 6 (1): (1-12). [PMID:27329697] [10.1038/srep28482] |
| 10. Fengling Tian, Jidong Yang, Wei Huang, Shang Zhou, Gengyang Yao. (2013) Resonance Rayleigh scattering, frequency doubling scattering and absorption spectrum of the interaction for mebendazole with 12-tungstophosphoric acid and its analytical applications. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:23912043] [10.1016/j.saa.2013.06.018] |
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| 12. Yifei Shen, Jie Liu, Bingyi Yao, Yuanjin Zhang, Shengbo Huang, Chenmeizi Liang, Junze Huang, Yu Tang, Xin Wang. (2024) Non-alcoholic fatty liver disease changes the expression and activity of hepatic drug-metabolizing enzymes and transporters in rats. TOXICOLOGY LETTERS, [PMID:38663832] [10.1016/j.toxlet.2024.04.010] |
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| 15. Jiahui Zhang, Junxiang Wang, Lingfan Chen, Xiangbin Yu, Shuihua Zhang, Yue Yu. (2024) Toxicity and Toxicokinetics of a Four-Week Repeated Gavage of Levamisole in Male Beagle Dogs: A Good Laboratory Practice Study. Pharmaceuticals, 17 (1): (141). [PMID:38276014] [10.3390/ph17010141] |
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