2-Aminobenzimidazole-5-carboxylic Acid - CAS 76391-97-4

Catalog:	BB035564
Product Name:	2-Aminobenzimidazole-5-carboxylic Acid
CAS:	76391-97-4
Synonyms:	2-amino-3H-benzimidazole-5-carboxylic acid; 2-amino-3H-benzimidazole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3H-benzimidazole-5-carboxylic acid
Description:	2-Aminobenzimidazole-5-carboxylic Acid (CAS# 76391-97-4) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)NC(=N2)N
InChI:	InChI=1S/C8H7N3O2/c9-8-10-5-2-1-4(7(12)13)3-6(5)11-8/h1-3H,(H,12,13)(H3,9,10,11)
InChI Key:	QNBMELTXPLGIMF-UHFFFAOYSA-N
Boiling Point:	540.4 °C at 760 mmHg
Density:	1.611 g/cm³
Appearance:	Solid
LogP:	1.42450

Publication Number	Title	Priority Date
TW-I705963-B	2,3-dihydrobenzofuran-5-yl compounds as dyrk kinase inhibitors	20130618
US-2013136782-A1	Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives	20111104
AU-2012245996-A1	Pyrazolospiroketone derivatives for use as acetyl-CoA carboxylase inhibitors	20110422
AU-2012245996-B2	Pyrazolospiroketone derivatives for use as acetyl-CoA carboxylase inhibitors	20110422
CA-2831380-A1	Pyrazolospiroketone derivatives for use as acetyl-coa carboxylase inhibitors	20110422

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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:	221
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:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	92 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8