2-(3-Hexyl-phenyl)-5-iodo-3-methyl-3H-imidazole-4-carboxylic acid

HCID 67133239

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

Related reactions

9 records

Compound notes

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