Basic information
- Standard SMILES
CCOC(=O)Cn1c(-c2ccc(-c3ccn(-c4ccccc4)n3)o2)[n+](C)c2ccccc21- InChIKey
CPWNBQLRSKFCGX-UHFFFAOYSA-N- Molecular formula
- C25H23N4O3+
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.17701561
Names & identifiers
- Preferred name
- Ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate
- IUPAC
- ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate
Database identifiers
- PubChem CID
- 166331
- Nikkaji
- J315.430K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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