Imidazole-4-carboxamide - CAS 26832-08-6

Catalog:	BB019377
Product Name:	Imidazole-4-carboxamide
CAS:	26832-08-6
Synonyms:	1H-imidazole-5-carboxamide; 1H-imidazole-5-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	1H-imidazole-5-carboxamide
Description:	Imidazole-4-carboxamide (CAS# 26832-08-6 ) is a useful research chemical.
Molecular Weight:	111.10
Molecular Formula:	C4H5N3O
Canonical SMILES:	C1=C(NC=N1)C(=O)N
InChI:	InChI=1S/C4H5N3O/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)
InChI Key:	ZBNZAJFNDPPMDT-UHFFFAOYSA-N
Boiling Point:	549.8 °C at 760 mmHg
Density:	1.394 g/cm³
Appearance:	Yellow to brown solid
MDL:	MFCD04113065
LogP:	0.20890

Publication Number	Title	Priority Date
WO-2015155626-A1	2-AMINO-6-METHYL-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]THIAZIN-8a(8H)-YL-1,3-THIAZOL-4-YL AMIDES	20140410
WO-2015150449-A2	Amido-substituted azole compounds	20140402
WO-2015068142-A2	Compositions, process of preparation of said compositions, uses and method of management of myeloproliferative disorder	20131111
WO-2015018823-A1	Thieno[2,3-c]pyrans as cftr modulators	20130808
WO-2015009882-A2	Cyano derivatives and their uses	20130718

PMID	Publication Date	Title	Journal
23985689	20131001	Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction	Bioorganic & medicinal chemistry
22225955	20120401	Correction of metabolic abnormalities in a rodent model of obesity, metabolic syndrome, and type 2 diabetes mellitus by inhibitors of hepatic protein kinase C-ι	Metabolism: clinical and experimental
22189134	20120201	Novel synthetic methods for N-cyano-1H-imidazole-4-carboxamides and their fungicidal activity	Bioorganic & medicinal chemistry letters
22343549	20120101	Intracerebroventricular administration of metformin inhibits ghrelin-induced Hypothalamic AMP-kinase signalling and food intake	Neuroendocrinology
20821331	20110701	Pharmacokinetic results of a phase I trial of sorafenib in combination with dacarbazine in patients with advanced solid tumors	Cancer chemotherapy and pharmacology

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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:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.043261792
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7