2,5,6-Trichlorobenzimidazole - CAS 16865-11-5

Catalog:	BB012485
Product Name:	2,5,6-Trichlorobenzimidazole
CAS:	16865-11-5
Synonyms:	2,5,6-trichloro-1H-benzimidazole; 2,5,6-trichloro-1H-benzimidazole

Technical Data

Patents

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Computed Properties

IUPAC Name:	2,5,6-trichloro-1H-benzimidazole
Description:	2,5,6-Trichlorobenzimidazole (CAS# 16865-11-5 ) is a useful research chemical.
Molecular Weight:	221.47
Molecular Formula:	C7H3Cl3N2
Canonical SMILES:	C1=C2C(=CC(=C1Cl)Cl)N=C(N2)Cl
InChI:	InChI=1S/C7H3Cl3N2/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H,11,12)
InChI Key:	SUQYOUJCBGMSLV-UHFFFAOYSA-N
Boiling Point:	399.3 °C at 760 mmHg
Density:	1.691 g/cm³
MDL:	MFCD09835289
LogP:	3.52310

Publication Number	Title	Priority Date
WO-2020057546-A1	Cyclic dinucleotide analogue, pharmaceutical composition thereof, and application	20180921
EP-3523314-A1	Cyclic dinucleotides containing benzimidazole, method for the production of same, and use of same to activate stimulator of interferon genes (sting)-dependent signaling pathways	20161007
US-2020040028-A1	Cyclic dinucleotides containing benzimidazole, method for the production of same, and use of same to activate stimulator of interferon genes (sting)-dependent signaling pathways	20161007
WO-2018065360-A1	Cyclic dinucleotides containing benzimidazole, method for the production of same, and use of same to activate stimulator of interferon genes (sting)-dependent signaling pathways	20161007
US-11001605-B2	Cyclic dinucleotides containing benzimidazole, method for the production of same, and use of same to activate stimulator of interferon genes (sting)-dependent signaling pathways	20161007

PMID	Publication Date	Title	Journal
10772706	20000101	Design, synthesis, and antiviral evaluation of 2-deoxy-D-ribosides of substituted benzimidazoles as potential agents for human cytomegalovirus infections	Nucleosides, nucleotides & nucleic acids
9575044	19980409	Design, synthesis, and antiviral activity of alpha-nucleosides: D- and L-isomers of lyxofuranosyl- and (5-deoxylyxofuranosyl)benzimidazoles	Journal of medicinal chemistry
9057865	19970227	Synthesis and antiviral activity of certain 5'-modified analogs of 2,5,6-trichloro-1-(beta-D-ribofuranosyl)benzimidazole	Journal of medicinal chemistry
9057868	19970227	Design, synthesis, and antiviral evaluation of 2-chloro-5,6-dihalo-1-beta-D-ribofuranosylbenzimidazoles as potential agents for human cytomegalovirus infections	Journal of medicinal chemistry
8632412	19960216	Structure-activity relationships among 2-substituted 5,6-dichloro-, 4,6-dichloro-, and 4,5-dichloro-1-[(2-hydroxyethoxy) methyl]- and -1-[(1,3-dihydroxy-2-propoxy) methyl]benzimidazoles	Journal of medicinal chemistry

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.936181
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.936181
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7