2-n-Butyl-5-hydroxymethyl-4-iodoimidazole
Basic information
- Standard SMILES
CCCCc1nc(I)c(CO)[nH]1- InChIKey
DKHPIBAKKVXLDL-UHFFFAOYSA-N- Molecular formula
- C8H13IN2O
- Average molar mass
- 280.11 g/mol
- Monoisotopic mass
- 280.00726
Names & identifiers
- Preferred name
- 2-n-Butyl-5-hydroxymethyl-4-iodoimidazole
- IUPAC
- (2-butyl-4-iodo-1H-imidazol-5-yl)methanol
Names & synonyms
2-n-Butyl-5-hydroxymethyl-4-iodoimidazoleSCHEMBL8435741DKHPIBAKKVXLDL-UHFFFAOYSA-NAKOS0002791222-butyl-5-hydroxymethyl-4-iodoimidazole2-Butyl-5-hydroxymethyl-4-iodo-imidazoleAU-059/43521701(2-BUTYL-5-IODO-1H-IMIDAZOL-4-YL)METHANOL
Database identifiers
- PubChem CID
- 14898547
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Related reactions
12 records
Compound notes
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