2,2'-Biimidazole - CAS 492-98-8

Catalog:	BB026684
Product Name:	2,2'-Biimidazole
CAS:	492-98-8
Synonyms:	2-(1H-imidazol-2-yl)-1H-imidazole; 2-(1H-imidazol-2-yl)-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-imidazol-2-yl)-1H-imidazole
Description:	2,2'-Biimidazole (CAS# 492-98-8) is used in the preparation of complexes that exhibits photoluminescence and optical properties. Also used in the preparation of bismuth biimidazoles as semi-conductors.
Molecular Weight:	134.14
Molecular Formula:	C6H6N4
Canonical SMILES:	C1=CN=C(N1)C2=NC=CN2
InChI:	InChI=1S/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
InChI Key:	AZUHIVLOSAPWDM-UHFFFAOYSA-N
Boiling Point:	455.5 °C at 760 mmHg
Density:	1.371 g/cm³
MDL:	MFCD00047014
LogP:	0.79980

Publication Number	Title	Priority Date
CN-111943905-A	Laingolide A and diastereoisomer and synthesis method thereof	20200716
US-2021190718-A1	Analyte Sensors and Sensing Methods Featuring Low-Potential Detection	20191223
US-2021190719-A1	Analyte sensors and sensing methods featuring low-potential detection	20191223
EP-3827956-A1	Printed matter producing method and printed matter producing apparatus	20191129
EP-3831612-A1	Inkjet printing method and inkjet printing apparatus	20191129

PMID	Publication Date	Title	Journal
25391653	20150109	Selective inhibition of mutant isocitrate dehydrogenase 1 (IDH1) via disruption of a metal binding network by an allosteric small molecule	The Journal of biological chemistry
25453811	20141215	Potent bisimidazole-based HCV NS5A inhibitors bearing annulated tricyclic motifs	Bioorganic & medicinal chemistry letters
22990387	20121114	A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions	Dalton transactions (Cambridge, England : 2003)
23088720	20121105	Switching orientation of two axial imidazole ligands between parallel and perpendicular in low-spin Fe(III) and Fe(II) nonplanar porphyrinates	Inorganic chemistry
22562085	20120907	Influence of pH and organic ligands on the supramolecular network based on molybdenum phosphate/strontium chemistry	Dalton transactions (Cambridge, England : 2003)

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Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.059246208
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	134.059246208
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1