4-Methylbenzimidazole Hydrochloride - CAS 1456821-64-9

Catalog:	BB009985
Product Name:	4-Methylbenzimidazole Hydrochloride
CAS:	1456821-64-9
Synonyms:	4-methyl-1H-benzimidazole;hydrochloride; 4-methyl-1H-benzimidazole;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methyl-1H-benzimidazole;hydrochloride
Description:	4-Methylbenzimidazole Hydrochloride (CAS# 1456821-64-9) is a useful research chemical.
Molecular Weight:	168.62
Molecular Formula:	C8H9ClN2
Canonical SMILES:	CC1=C2C(=CC=C1)NC=N2.Cl
InChI:	InChI=1S/C8H8N2.ClH/c1-6-3-2-4-7-8(6)10-5-9-7;/h2-5H,1H3,(H,9,10);1H
InChI Key:	OEQFLDSYLAAGOV-UHFFFAOYSA-N
LogP:	2.67330

Publication Number	Title	Priority Date
CS-226021-B2	Method of presparing piperidine propylderivatives	19790216
EP-0014928-A1	Piperidinopropyl derivatives, process for their preparation and medicaments containing these compounds	19790216

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Related Functional Groups

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Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.045426
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.045426
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0