N-Isobutyl-1-imidazolecarboxamide - CAS 149047-76-7

Catalog:	BB010367
Product Name:	N-Isobutyl-1-imidazolecarboxamide
CAS:	149047-76-7
Synonyms:	N-(2-methylpropyl)-1-imidazolecarboxamide; N-(2-methylpropyl)imidazole-1-carboxamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(2-methylpropyl)imidazole-1-carboxamide
Description:	N-Isobutyl-1-imidazolecarboxamide (CAS# 149047-76-7 ) is a useful research chemical.
Molecular Weight:	167.21
Molecular Formula:	C8H13N3O
Canonical SMILES:	CC(C)CNC(=O)N1C=CN=C1
InChI:	InChI=1S/C8H13N3O/c1-7(2)5-10-8(12)11-4-3-9-6-11/h3-4,6-7H,5H2,1-2H3,(H,10,12)
InChI Key:	WJTQGNRVNGDPSW-UHFFFAOYSA-N
MDL:	MFCD11099706
LogP:	1.30120

Publication Number	Title	Priority Date
EP-2119720-A1	Novel vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives	20070129
US-2010113498-A1	Novel vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives	20070129
US-8168647-B2	Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives	20070129
EP-1458374-A2	Compounds and uses thereof for decreasing activity of hormone-sensitive lipase	20011214
EP-1458375-A2	Compositions for decreasing activity of hormone-sensitive lipase	20011214

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.105862047
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.105862047
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8