2-Methylbenzimidazole-5-carboxylic Acid - CAS 709-19-3
Catalog: |
BB034269 |
Product Name: |
2-Methylbenzimidazole-5-carboxylic Acid |
CAS: |
709-19-3 |
Synonyms: |
2-methyl-3H-benzimidazole-5-carboxylic acid; 2-methyl-3H-benzimidazole-5-carboxylic acid |
IUPAC Name: | 2-methyl-3H-benzimidazole-5-carboxylic acid |
Description: | 2-Methylbenzimidazole-5-carboxylic Acid (CAS# 709-19-3) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CC1=NC2=C(N1)C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | GZHWABCBKGMLIE-UHFFFAOYSA-N |
Boiling Point: | 504 °C |
Density: | 1.421 g/cm3 |
MDL: | MFCD00800488 |
LogP: | 1.56950 |
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 |
Publication Number | Title | Priority Date |
WO-2020210649-A1 | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
TW-202103708-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
WO-2020068950-A1 | Hdac1,2 inhibitors | 20180925 |
EP-3856174-A1 | Hdac1,2 inhibitors | 20180925 |
CN-108250148-A | A kind of process for purification of Telmisartan key intermediate | 20171229 |
PMID | Publication Date | Title | Journal |
22424148 | 20120412 | Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase | Journal of medicinal chemistry |
18752870 | 20090401 | New transition metal ion complexes with benzimidazole-5-carboxylic acid hydrazides with antitumor activity | European journal of medicinal chemistry |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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