SARS-CoV-2-IN-59 - CAS 850786-33-3

Name: SARS-CoV-2-IN-59
Brand: BOC Sciences
Rating: 5 (1 reviews)

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)-;

Technical Data

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