(S)-1-Boc-2-[4-(4-iodophenyl)-2-imidazolyl]pyrrolidine - CAS 1242094-29-6
Catalog: |
BB005831 |
Product Name: |
(S)-1-Boc-2-[4-(4-iodophenyl)-2-imidazolyl]pyrrolidine |
CAS: |
1242094-29-6 |
Synonyms: |
(2S)-2-[5-(4-iodophenyl)-1H-imidazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-[5-(4-iodophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S)-2-[5-(4-iodophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate |
Description: | (S)-1-Boc-2-[4-(4-iodophenyl)-2-imidazolyl]pyrrolidine (CAS# 1242094-29-6) is a useful research chemical compound. |
Molecular Weight: | 439.29 |
Molecular Formula: | C18H22IN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)I |
InChI: | InChI=1S/C18H22IN3O2/c1-18(2,3)24-17(23)22-10-4-5-15(22)16-20-11-14(21-16)12-6-8-13(19)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,20,21)/t15-/m0/s1 |
InChI Key: | FKNRJMZSQAHBBC-HNNXBMFYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 4.69120 |
Publication Number | Title | Priority Date |
EP-2657231-A2 | Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof | 20101130 |
EP-2808325-B1 | Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof | 20101130 |
US-2013253008-A1 | Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof | 20101130 |
US-9428491-B2 | Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof | 20101130 |
WO-2012074437-A2 | Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof | 20101130 |
Complexity: | 446 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 439.07567 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 439.07567 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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