Methyl Benzimidazole-2-carboxylate - CAS 5805-53-8

Catalog:	BB029917
Product Name:	Methyl Benzimidazole-2-carboxylate
CAS:	5805-53-8
Synonyms:	1H-benzimidazole-2-carboxylic acid methyl ester; methyl 1H-benzimidazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1H-benzimidazole-2-carboxylate
Description:	Methyl Benzimidazole-2-carboxylate (CAS# 5805-53-8) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=NC2=CC=CC=C2N1
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,10,11)
InChI Key:	LKUBWDNDGBVKFK-UHFFFAOYSA-N
LogP:	1.34950

Publication Number	Title	Priority Date
CN-111205230-A	Benzimidazole derivative containing long alkyl chain and preparation and application of metal hydrogel of benzimidazole derivative	20200122
WO-2020203337-A1	Slime removing tool	20190329
US-2020299285-A1	Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors	20190321
CN-110835333-A	Benzimidazole substituted azole compound and application thereof	20180816
CN-111788527-A	Laminate, water-soluble resin composition, and kit	20180301

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4