4-Chloro-5-methoxybenzimidazole - CAS 1360953-02-1

Catalog:	BB008294
Product Name:	4-Chloro-5-methoxybenzimidazole
CAS:	1360953-02-1
Synonyms:	4-chloro-5-methoxy-1H-benzimidazole; 4-chloro-5-methoxy-1H-benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-5-methoxy-1H-benzimidazole
Description:	4-Chloro-5-methoxybenzimidazole (CAS# 1360953-02-1 ) is a useful research chemical.
Molecular Weight:	182.61
Molecular Formula:	C8H7ClN2O
Canonical SMILES:	COC1=C(C2=C(C=C1)NC=N2)Cl
InChI:	InChI=1S/C8H7ClN2O/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChI Key:	VXELIBRJQFMUNW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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
CN-110191882-A	Novel heterocyclic compounds, preparation method and the pharmaceutical composition comprising it	20170207
EP-3580208-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0246905
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1