2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1H-benzimidazole-6-carboxylic acid
Basic information
- CAS
1152837-01-8- Standard SMILES
Cc1nn(C)c(C)c1-c1nc2ccc(C(=O)O)cc2[nH]1- InChIKey
MMAFRCPDBBVXIM-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2
- Average molar mass
- 270.29 g/mol
- Monoisotopic mass
- 270.1116757
Names & identifiers
- Preferred name
- 2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1H-benzimidazole-6-carboxylic acid
- IUPAC
- 2-(1,3,5-trimethylpyrazol-4-yl)-3H-benzimidazole-5-carboxylic acid
Names & synonyms
DTXSID2011544782-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1H-benzimidazole-6-carboxylic acid1152837-01-8
Database identifiers
- CAS
1152837-01-8- PubChem CID
- 43349296
- DTXSID
DTXSID201154478
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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