1-(4-Bromobenzyl)imidazole - CAS 72459-46-2

Catalog:	BB034625
Product Name:	1-(4-Bromobenzyl)imidazole
CAS:	72459-46-2
Synonyms:	1-[(4-bromophenyl)methyl]imidazole; 1-[(4-bromophenyl)methyl]imidazole

Technical Data

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Computed Properties

IUPAC Name:	1-[(4-bromophenyl)methyl]imidazole
Description:	1-(4-Bromobenzyl)imidazole (CAS# 72459-46-2) is a useful research chemical.
Molecular Weight:	237.10
Molecular Formula:	C10H9BrN2
Canonical SMILES:	C1=CC(=CC=C1CN2C=CN=C2)Br
InChI:	InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChI Key:	MZJSYLIOMLCYIS-UHFFFAOYSA-N
Boiling Point:	371.5 °C at 760 mmHg
Density:	1.44 g/cm³
Appearance:	Solid
LogP:	2.69390

Publication Number	Title	Priority Date
CN-111333581-A	Synthetic method of ozagrel sodium	20200422
CN-111333581-B	Synthetic method of ozagrel sodium	20200422
JP-2018154611-A	Method for producing N-protected sultan derivative	20170315
JP-2010163561-A	Substituted polyacetylene and method for producing the same, substituted polyacetylene self-supporting membrane and method for producing the same, carbon dioxide separation membrane, and membrane that reversibly changes color by stretching	20090116
JP-5131643-B2	Substituted polyacetylene and method for producing the same, substituted polyacetylene self-supporting membrane and method for producing the same, carbon dioxide separation membrane, and membrane that reversibly changes color by stretching	20090116

PMID	Publication Date	Title	Journal
20121113	20100225	Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2)	Journal of medicinal chemistry
16870430	20060915	Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha))	Bioorganic & medicinal chemistry letters
16750362	20060801	Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha))	Bioorganic & medicinal chemistry letters

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.99491
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.99491
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3