4-methyl-1H-1,3-benzodiazole-2-carboxylic acid - CAS 673487-32-6
Catalog: |
BB033257 |
Product Name: |
4-methyl-1H-1,3-benzodiazole-2-carboxylic acid |
CAS: |
673487-32-6 |
Synonyms: |
4-methyl-1H-benzimidazole-2-carboxylic acid; 4-methyl-1H-benzimidazole-2-carboxylic acid |
IUPAC Name: | 4-methyl-1H-benzimidazole-2-carboxylic acid |
Description: | 4-methyl-1H-1,3-benzodiazole-2-carboxylic acid (CAS# 673487-32-6) is a useful research chemical. |
Molecular Weight: | 176.175 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CC1=C2C(=CC=C1)NC(=N2)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | OBQMQANOQQJNFK-UHFFFAOYSA-N |
Boiling Point: | 444.5 °C at 760 mmHg |
Density: | 1.421 g/cm3 |
MDL: | MFCD09751735 |
LogP: | 1.56950 |
Publication Number | Title | Priority Date |
EP-2858647-A1 | H4 receptor inhibitors for treating tinnitus | 20120608 |
EP-3378476-A1 | H4 receptor inhibitors for treating tinnitus | 20120608 |
JP-2015520180-A | H4 receptor inhibitor for treating tinnitus | 20120608 |
JP-2017214414-A | H4 receptor inhibitor for treating tinnitus | 20120608 |
JP-6185574-B2 | H4 receptor inhibitor for treating tinnitus | 20120608 |
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: | 1.7 |
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Benzimidazoles
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