Basic information
- Standard SMILES
CCCCCCc1cccc(-c2nc(I)c(C(=O)O)n2C)c1- InChIKey
GDILCLDTPJRUDL-UHFFFAOYSA-N- Molecular formula
- C17H21IN2O2
- Average molar mass
- 412.26 g/mol
Names & identifiers
- Preferred name
- 2-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazole-4-carboxylic acid
- IUPAC
- 2-(3-hexylphenyl)-5-iodo-3-methylimidazole-4-carboxylic acid
Names & synonyms
SCHEMBL1720020GDILCLDTPJRUDL-UHFFFAOYSA-N2-(3-hexyl-phenyl)-5-iodo-3-methyl-3H-imidazol-4-carboxylic acid2-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 67133239
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
9 records
Compound notes
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