2-Amino-5-fluorobenzimidazole - CAS 30486-73-8

Catalog:	BB020621
Product Name:	2-Amino-5-fluorobenzimidazole
CAS:	30486-73-8
Synonyms:	6-fluoro-1H-benzimidazol-2-amine; 6-fluoro-1H-benzimidazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-fluoro-1H-benzimidazol-2-amine
Description:	2-Amino-5-fluorobenzimidazole (CAS# 30486-73-8 ) is a useful research chemical.
Molecular Weight:	151.14
Molecular Formula:	C7H6FN3
Canonical SMILES:	C1=CC2=C(C=C1F)NC(=N2)N
InChI:	InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChI Key:	MKYGXXIXMHTQFA-UHFFFAOYSA-N
Boiling Point:	372.8 °C at 760 mmHg
Density:	1.487 g/cm³
LogP:	1.86540

Publication Number	Title	Priority Date
US-2021128561-A1	MRGX Receptor Antagonists	20191031
WO-2021022061-A1	Aryl hydrocarbon receptor activators	20190730
CN-106414448-A	Novel compounds useful as s100-inhibitors	20140523
KR-101383239-B1	4- (benzimidazol-2-ylamino) pyrrolidine derivatives that inhibit beta-secretase activity and pharmaceutical compositions containing them as active ingredients	20120430
US-10292390-B2	Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives	20111104

PMID	Publication Date	Title	Journal
20642456	20101001	Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors	The Biochemical journal

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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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.05457537
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.05457537
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4