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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone , CAS No.312617-89-3
Synonyms
1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethan-1-one | 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone | BDBM50105701 | STK80
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2, 3-dihydro-1H-benzo[d]imidazol-1-yl)ethan-1-one | 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2, 3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone | BDBM50105701 | STK80
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C IUPAC Name 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone InChIKey JUSKTBCBJMYXCI-UHFFFAOYSA-N INCHI 1S/C31H37N3O2/c1-20-12-14-21(15-13-20)18-33-25-10-8-9-11-26(25)34(29(33)32)19-27(35)22-16-23(30(2,3)4)28(36)24(17-22)31(5,6)7/h8-17,32,36H,18-19H2,1-7H3 Isomeric SMILES CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C Molecular Weight 483.6 Reaxy-Rn 9021763 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9021763&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Phenylpropanes Benzimidazoles Benzoyl derivatives Aryl alkyl ketones Toluenes Phenols N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - Benzimidazole - Phenylpropane - Benzoyl - Aryl alkyl ketone - Phenol - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 483.600 g/mol XLogP3 7.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 7 Exact Mass 483.289 Da Monoisotopic Mass 483.289 Da Topological Polar Surface Area 67.600 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 765.000 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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