4-Bromo-2,5-dimethyl-1H-imidazole - CAS 1049118-07-1

Catalog:	BB001517
Product Name:	4-Bromo-2,5-dimethyl-1H-imidazole
CAS:	1049118-07-1
Synonyms:	4-bromo-2,5-dimethyl-1H-imidazole; 4-bromo-2,5-dimethyl-1H-imidazole

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Computed Properties

IUPAC Name:	4-bromo-2,5-dimethyl-1H-imidazole
Description:	4-Bromo-2,5-dimethyl-1H-imidazole (CAS# 1049118-07-1) is a useful research chemical.
Molecular Weight:	175.03
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CC1=C(N=C(N1)C)Br
InChI:	InChI=1S/C5H7BrN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8)
InChI Key:	VGFNRJCHIWPIPH-UHFFFAOYSA-N
LogP:	1.78900

Publication Number	Title	Priority Date
US-2020190045-A1	Ferroportin inhibitors and methods of use	20181213
WO-2020123850-A1	Ferroportin inhibitors and methods of use	20181213
EP-3894416-A1	Ferroportin inhibitors and methods of use	20181213
US-10072014-B2	6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of MGLUR2 receptors	20141203
US-2017369493-A1	6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20141203

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	86.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.97926
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9