5-Chloro-4-methylbenzimidazole - CAS 1360938-85-7

Catalog:	BB008291
Product Name:	5-Chloro-4-methylbenzimidazole
CAS:	1360938-85-7
Synonyms:	5-chloro-4-methyl-1H-benzimidazole; 5-chloro-4-methyl-1H-benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-4-methyl-1H-benzimidazole
Description:	5-Chloro-4-methylbenzimidazole (CAS# 1360938-85-7) is a useful research chemical.
Molecular Weight:	166.61
Molecular Formula:	C8H7ClN2
Canonical SMILES:	CC1=C(C=CC2=C1N=CN2)Cl
InChI:	InChI=1S/C8H7ClN2/c1-5-6(9)2-3-7-8(5)11-4-10-7/h2-4H,1H3,(H,10,11)
InChI Key:	RFPIYIJPDBSYMR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2019075367-A1	PKM2 ACTIVATORS IN COMBINATION WITH OXYGEN REACTIVE SPECIES FOR THE TREATMENT OF CANCER	20171013
US-2020237766-A1	Pkm2 activators in combination with reactive oxygen species for treatment of cancer	20171013
AU-2018218965-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
AU-2018218965-B2	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0297759
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5