Benzimidazole-2-carbaldehyde - CAS 3314-30-5

Catalog:	BB021576
Product Name:	Benzimidazole-2-carbaldehyde
CAS:	3314-30-5
Synonyms:	1H-benzimidazole-2-carboxaldehyde; 1H-benzimidazole-2-carbaldehyde

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Computed Properties

IUPAC Name:	1H-benzimidazole-2-carbaldehyde
Description:	Benzimidazole-2-carbaldehyde (CAS# 3314-30-5) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)C=O
InChI:	InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)
InChI Key:	DQOSJWYZDQIMGM-UHFFFAOYSA-N
Boiling Point:	361.8 °C at 760 mmHg
Density:	1.368 g/cm³
Appearance:	Beige powder
LogP:	1.37540

Publication Number	Title	Priority Date
CN-113150304-A	Mixed body metal-organic framework material and preparation method and application thereof	20210424
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
CN-110105338-A	6 '-replace amine formyl benzimidazole -4- substituent methyl indole derivatives	20190531
CN-110105339-A	6 '-replace amine formyl benzimidazole -5- substituent methyl indole derivatives	20190531
US-2020392153-A1	Substituted eneoxindoles and uses thereof	20190523

PMID	Publication Date	Title	Journal
22222040	20120115	Synthesis of substituted benzimidazolyl curcumin mimics and their anticancer activity	Bioorganic & medicinal chemistry letters
21522461	20110226	N-(4,6-Dimethyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine	Acta crystallographica. Section E, Structure reports online
21522799	20101211	1,4-Bis(1H-benzimidazol-2-yl)benzene methanol monosolvate	Acta crystallographica. Section E, Structure reports online
20863116	20101020	Tailored ligand acceleration of the Cu-catalyzed azide-alkyne cycloaddition reaction: practical and mechanistic implications	Journal of the American Chemical Society
20047297	20100205	Copper-catalyzed annulation of 2-formylazoles with o-aminoiodoarenes	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1