5-methyl-1H-1,3-benzodiazole-2-carboxylic acid - CAS 99459-47-9

Catalog:	BB042293
Product Name:	5-methyl-1H-1,3-benzodiazole-2-carboxylic acid
CAS:	99459-47-9
Synonyms:	6-methyl-1H-benzimidazole-2-carboxylic acid; 6-methyl-1H-benzimidazole-2-carboxylic acid

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	6-methyl-1H-benzimidazole-2-carboxylic acid
Description:	5-methyl-1H-1,3-benzodiazole-2-carboxylic acid (CAS# 99459-47-9) is a useful research chemical compound.
Molecular Weight:	176.175
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CC1=CC2=C(C=C1)N=C(N2)C(=O)O
InChI:	InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:	ZCDFRCAJGXZHBJ-UHFFFAOYSA-N
Boiling Point:	444.5 °C at 760 mmHg
Density:	1.421 g/cm³
MDL:	MFCD06800967
LogP:	1.56950

Publication Number	Title	Priority Date
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
US-10767027-B1	Magnetically-recoverable catalysts for depolymerization	20181023
EP-3176163-A1	Novel indene derivative, preparation method for same, and pharmaceutical composition, for preventing or treating retinal diseases, containing same as active ingredient	20140728
EP-3176163-B1	Novel indene derivative, preparation method for same, and pharmaceutical composition, for preventing or treating retinal diseases, containing same as active ingredient	20140728
JP-2017523977-A	Novel indene derivative, preparation method thereof, and pharmaceutical composition for preventing or treating retinal diseases containing the same as an active ingredient	20140728

PMID	Publication Date	Title	Journal
19969456	20100115	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Benzimidazoles

[1253394-89-6]
1-(butan-2-yl)-5-chloro-1H-1,3-benzodiazole-2-carbaldehyde
[142356-64-7]
2-Amino-5-chloro-6-fluoro-1H-benzo[d]imidazole
[1378947-22-8]
6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole
[1508258-32-9]
(R)-tert-butyl 3-(2-amino-7-chloro-1H-benzo[d]imidazol-1-yl)azepane-1-carboxylate
[884069-38-9]
4-(2-Methylbenzimidazolyl)benzenecarbonitrile
[1225283-27-1]
4,5-difluoro-1H-1,3-benzodiazole-2-carboxylic acid

Complexity:	220
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3