2-Iodoimidazole - CAS 3034-62-6

Catalog:	BB020569
Product Name:	2-Iodoimidazole
CAS:	3034-62-6
Synonyms:	2-iodo-1H-imidazole; 2-iodo-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-1H-imidazole
Description:	2-Iodoimidazole (CAS# 3034-62-6) is a useful research chemical.
Molecular Weight:	193.97
Molecular Formula:	C3H3IN2
Canonical SMILES:	C1=CN=C(N1)I
InChI:	InChI=1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChI Key:	MHHDMDLNVVCTAJ-UHFFFAOYSA-N
Boiling Point:	299.3 °C at 760 mmHg
Density:	2.335 g/cm³
MDL:	MFCD00159701
LogP:	1.01430

Publication Number	Title	Priority Date
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
US-2021284805-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021178573-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
JP-2021102584-A	Condensed heterocyclic compounds and pest control agents	20191225
US-2021115010-A1	Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease	20191021

PMID	Publication Date	Title	Journal
20426423	20100527	Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties	Journal of medicinal chemistry
19421463	20090521	New asymmetric synthesis of protein farnesyltransferase inhibitors via palladium-catalyzed cross-coupling reactions of 2-iodo-imidazoles	Organic & biomolecular chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.93410
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.93410
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5