1-Methyl-4-nitrobenzimidazole - CAS 31493-66-0

Catalog:	BB020943
Product Name:	1-Methyl-4-nitrobenzimidazole
CAS:	31493-66-0
Synonyms:	1-methyl-4-nitrobenzimidazole; 1-methyl-4-nitrobenzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-methyl-4-nitrobenzimidazole
Description:	1-Methyl-4-nitrobenzimidazole (CAS# 31493-66-0) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CN1C=NC2=C1C=CC=C2[N+](=O)[O-]
InChI:	InChI=1S/C8H7N3O2/c1-10-5-9-8-6(10)3-2-4-7(8)11(12)13/h2-5H,1H3
InChI Key:	RFLMKPLHWAENSE-UHFFFAOYSA-N
Boiling Point:	358.6 °C at 760 mmHg
Density:	1.42 g/cm³
LogP:	2.00470

Publication Number	Title	Priority Date
CN-109311871-A	N- (phenyl sulfonyl) benzamide and related compound as BCL-2 inhibitor	20160805
CN-110483501-A	N- (phenyl sulfonyl) benzamide and related compound as BCL-2 inhibitor	20160805
KR-101594002-B1	Benzimidazole derivatives as pi3 kinase inhibitors	20101006
US-2006142232-A1	Oligomeric compositions and methods	20041013
US-7713944-B2	Oligomers comprising activated disulfides which bind to plasma proteins and their use for delivery to cells	20041013

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Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3