7-Amino-2-methyl-1H-benzimidazole - CAS 96013-05-7

Catalog:	BB041933
Product Name:	7-Amino-2-methyl-1H-benzimidazole
CAS:	96013-05-7
Synonyms:	2-methyl-1H-benzimidazol-4-amine; 2-methyl-1H-benzimidazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1H-benzimidazol-4-amine
Description:	7-Amino-2-methyl-1H-benzimidazole (CAS# 96013-05-7 ) is a useful research chemical.
Molecular Weight:	147.18
Molecular Formula:	C8H9N3
Canonical SMILES:	CC1=NC2=C(N1)C=CC=C2N
InChI:	InChI=1S/C8H9N3/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,9H2,1H3,(H,10,11)
InChI Key:	USVXDODAPOBXCF-UHFFFAOYSA-N
Boiling Point:	441.1 °C at 760 mmHg
Density:	1.295 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.03470

Publication Number	Title	Priority Date
WO-2019034603-A1	SUBSTITUTED BENZIMIDAZOLES USEFUL AS INHIBITORS OF THE POTASSIUM CHANNEL	20170814
CN-104388945-A	Mannich base corrosion inhibitor for preventing CO2 corrosion in high flow speed environment and preparation method of mannich base corrosion inhibitor	20141204
WO-2015054612-A1	Treating organ-specific t cell mediated autoimmune diseases	20131011
AU-2019201212-B2	Novel bicyclic bromodomain inhibitors	20130621
AU-2019201212-C1	Novel bicyclic bromodomain inhibitors	20130621

PMID	Publication Date	Title	Journal
12767597	20030501	Synthesis, cytotoxic activity on MCF-7 cell line and mutagenic activity of platinum(II) complexes with 2-substituted benzimidazole ligands	European journal of medicinal chemistry
12127537	20020819	Design and synthesis of novel inhibitors of gelatinase B	Bioorganic & medicinal chemistry letters

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0796473
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	147.0796473
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1