SARS-CoV-2-IN-59 - CAS 850786-33-3
Catalog: |
BB037460 |
Product Name: |
SARS-CoV-2-IN-59 |
CAS: |
850786-33-3 |
Synonyms: |
850786-33-3;4-(4,5-dihydro-1H-imidazol-2-yl)benzonitrile;4-(4,5-Dihydro-2-imidazolyl)benzonitrile;SARS-CoV-2-IN-59;SCHEMBL19462115;AC6940;MFCD16877945;HS-3472;HY-W348072;SY042545;CS-0458974;Benzonitrile, 4-(4,5-dihydro-1H-imidazol-2-yl)-; |
IUPAC Name: | 4-(4,5-dihydro-1H-imidazol-2-yl)benzonitrile |
Description: | 4-(4,5-Dihydro-2-imidazolyl)benzonitrile (CAS# 850786-33-3 ) is a useful research chemical. |
Molecular Weight: | 526.5 |
Molecular Formula: | C27H26N8O4 |
Canonical SMILES: | C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5 |
InChI: | InChI=1S/C10H9N3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4H,5-6H2,(H,12,13) |
InChI Key: | QSYOBRLVRMIBRU-UHFFFAOYSA-N |
Storage: | Please store the product under the recommended conditions in the Certificate of Analysis. |
LogP: | 0.67248 |
Publication Number | Title | Priority Date |
CA-3019014-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
EP-3442948-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
JP-2019511527-A | PPAR agonists, compounds, pharmaceutical compositions and methods of use thereof | 20160413 |
KR-20180133435-A | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
WO-2017180818-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20160413 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0796473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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