2,5-Diiodo-4-methylimidazole - CAS 149510-85-0

Catalog:	BB010417
Product Name:	2,5-Diiodo-4-methylimidazole
CAS:	149510-85-0
Synonyms:	2,4-diiodo-5-methyl-1H-imidazole; 2,4-diiodo-5-methyl-1H-imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4-diiodo-5-methyl-1H-imidazole
Description:	2,5-Diiodo-4-methylimidazole (CAS# 149510-85-0) is a useful research chemical.
Molecular Weight:	333.90
Molecular Formula:	C4H4I2N2
Canonical SMILES:	CC1=C(N=C(N1)I)I
InChI:	InChI=1S/C4H4I2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChI Key:	GPBIXFAUPJOCRS-UHFFFAOYSA-N
Boiling Point:	387 °C at 760 mmHg
Density:	2.75 g/cm³
LogP:	1.92730

Publication Number	Title	Priority Date
AU-2015357167-B2	6,7-dihydropyrazolo(1,5-alpha)pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors	20141203
CN-107001375-B	6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of MGLUR2 receptors	20141203
EP-3227295-A1	6,7-dihydropyrazolo[1,5- ]pyrazin-4(5h)-one compounds and their use as negative allosteric modulators of mglur2 receptors	20141203
EP-3227295-B1	6,7-dihydropyrazolo[1,5- ]pyrazin-4(5h)-one compounds and their use as negative allosteric modulators of mglu2 receptors	20141203
ES-2727379-T3	6,7-dihydropyrazolo [1,5-a] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of mGlu2 receptors	20141203

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Complexity:	88.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.84639
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	333.84639
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5