4-Methyl-5-nitrobenzimidazole - CAS 170918-28-2

Catalog:	BB012684
Product Name:	4-Methyl-5-nitrobenzimidazole
CAS:	170918-28-2
Synonyms:	4-methyl-5-nitro-1H-benzimidazole; 4-methyl-5-nitro-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-5-nitro-1H-benzimidazole
Description:	4-Methyl-5-nitrobenzimidazole (CAS# 170918-28-2 ) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CC1=C(C=CC2=C1N=CN2)[N+](=O)[O-]
InChI:	InChI=1S/C8H7N3O2/c1-5-7(11(12)13)3-2-6-8(5)10-4-9-6/h2-4H,1H3,(H,9,10)
InChI Key:	OUNJNOIRCNXHMH-UHFFFAOYSA-N
LogP:	2.30270

Publication Number	Title	Priority Date
ES-2482167-T3	Methods for making 6 - [(4,5-dihydro-1h-imidazol-2-yl) amino -] - 7-methyl-1h-benzimidazol-4-carbonitrile and its preferred salt form	20030220
US-6306877-B1	Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists	19990809
CZ-20001912-A3	5-(2-imidazolinylamino)-benzimidazole derivatives, process of their preparation and their use as alpha adrenoceptor agonist with enhanced metabolic stability	19981120
CA-2311344-C	5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability	19971124
EP-1037887-A1	5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability	19971124

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[1508258-32-9]
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[1245642-98-1]
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[884069-38-9]
4-(2-Methylbenzimidazolyl)benzenecarbonitrile
[5429-62-9]
Ethyl (1H-benzimidazol-2-ylthio)acetate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7