10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Inhibitor of glucose transporter PfHT; Inhibitor of glucose transporter PfHT; HAT inhibitor; sirtuin modulator;
| ALogP | 4.006 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 6 |
| Pubchem Sid | 528767745 |
|---|---|
| Canonical Smiles | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 |
| IUPAC Name | N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide |
| InChIKey | AIDJWZIOMBFHID-UHFFFAOYSA-N |
| INCHI | 1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-10-8-14(9-11-16)22-25-17-6-4-5-7-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26) |
| Isomeric SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3 |
| PubChem CID | 1104079 |
| Molecular Weight | 403.43054 |
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 | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Benzanilides Phenylimidazoles Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - Benzanilide - Aromatic anilide - 2-phenylimidazole - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 403.400 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 403.153 Da |
| Monoisotopic Mass | 403.153 Da |
| Topological Polar Surface Area | 85.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 555.000 |
| 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 |
