≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCC(C1)OC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | tert-butyl (3R)-3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]oxypyrrolidine-1-carboxylate |
| InChIKey | NINQREMEVZPFTI-GOSISDBHSA-N |
| INCHI | 1S/C23H26FN3O3/c1-23(2,3)30-22(28)26-13-12-18(15-26)29-21-25-19-6-4-5-7-20(19)27(21)14-16-8-10-17(24)11-9-16/h4-11,18H,12-15H2,1-3H3/t18-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC[C@H](C1)OC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
| PubChem CID | 66570286 |
| Molecular Weight | 411.477 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Pyrrolidine carboxylic acids Fluorobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Pyrrolidine - Tertiary amine - Azacycle - Ether - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 411.500 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 411.196 Da |
| Monoisotopic Mass | 411.196 Da |
| Topological Polar Surface Area | 56.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 591.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(R)-tert-Butyl 3-((1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)oxy)pyrrolidine-1-carboxylate - ≥95% , CAS No.1354006-88-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)