2-(4-Nitrophenyl)-1H-benzimidazole - CAS 729-13-5

Name: 2-(4-Nitrophenyl)-1H-benzimidazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034722
Product Name:	2-(4-Nitrophenyl)-1H-benzimidazole
CAS:	729-13-5
Synonyms:	2-(4-nitrophenyl)-1H-benzimidazole; 2-(4-nitrophenyl)-1H-benzimidazole

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Computed Properties

IUPAC Name:	2-(4-nitrophenyl)-1H-benzimidazole
Description:	2-(4-Nitrophenyl)-1H-benzimidazole (CAS# 729-13-5) is a useful research chemical compound.
Molecular Weight:	239.23
Molecular Formula:	C13H9N3O2
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C13H9N3O2/c17-16(18)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13/h1-8H,(H,14,15)
InChI Key:	TVNHSLVVOOKWHG-UHFFFAOYSA-N
LogP:	3.66130

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

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Publication Number	Title	Priority Date
CN-112438977-A	Benzimidazolium-containing myricetin derivative, preparation method and application	20201202
CN-112194654-A	Benzimidazolium-containing myricetin derivative, preparation method and application	20200828
US-2021130382-A1	Organometallic compound, organic light emitting diode and organic light emitting device including the same	20191030
WO-2020216691-A1	Self-adhesive prepreg	20190424
WO-2020043880-A1	Heterocyclic compounds as ahr modulators	20180831

PMID	Publication Date	Title	Journal
18657885	20090301	Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanones	European journal of medicinal chemistry
21582215	20090221	1-(1H-Benzimidazol-2-yl)-4-nitro-benzene dimethyl-formamide solvate	Acta crystallographica. Section E, Structure reports online

Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.069476538
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.069476538
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1