Basic information
- Standard SMILES
Cn1c(-c2cccc(OC(F)(F)F)c2)nc(I)c1C(=O)O- InChIKey
UXZKMODCZGQPMM-UHFFFAOYSA-N- Molecular formula
- C12H8F3IN2O3
- Average molar mass
- 412.1 g/mol
Names & identifiers
- Preferred name
- 5-iodo-3-methyl-2-(3-trifluoromethoxy-phenyl)-3H-imidazole-4-carboxylic acid
- IUPAC
- 5-iodo-3-methyl-2-[3-(trifluoromethoxy)phenyl]imidazole-4-carboxylic acid
Names & synonyms
5-iodo-3-methyl-2-(3-trifluoromethoxy-phenyl)-3H-imidazole-4-carboxylic acidSCHEMBL1720088
Database identifiers
- PubChem CID
- 67133255
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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