Basic information
- CAS
84501-68-8- Standard SMILES
CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1- InChIKey
MMPSFTZVUMTCKV-UHFFFAOYSA-N- Molecular formula
- C22H25FN4O2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.19615422
Names & identifiers
- Preferred name
- Ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-YL]amino]piperidine-1-carboxylate
- IUPAC
- ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
- English name
- Ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidine-1-carboxylate
- Molecular formula
- C22H25FN4O2
- Molecular weight
- 396.46
Names & synonyms
84501-68-8N-Ethoxycarbonyl NorastemizoleETHYL 4-[[1-[(4-FLUOROPHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]AMINO]PIPERIDINE-1-CARBOXYLATEethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylateEthyl 4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)piperidine-1-carboxylateEINECS 282-988-51-Piperidinecarboxylicacid, 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-, ethyl esterEthyl 4-[[1-[(4-Fluorophenyl)methyl]-1h-benzimidazol-2-yl]amino]piperidine-1-carboxylate; 4-[[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylic acid Ethyl Ester;SCHEMBL6995354DTXSID30233501AKOS030254754ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate
Show more names
Astemizole Impurity 2 (N-Ethoxycarbonyl Norastemizole)ethyl 4-((1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)amino)piperidine-1-carboxylate4-[1-(4-Fluorobenzyl)-1H-benzimidazole-2-ylamino]piperidine-1-carboxylic acid ethyl ester
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- Melting point
- 179 · 179-182°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesIntermediate in the production of antihistamines
Upstream & downstream products
Downstream products
Suppliers5 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
9 records
Compound notes
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