Xylometazoline metabolite

HCID 557409
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Basic information

Standard SMILES
Cc1cc(C(C)(C)C)cc(C)c1Cc1ncc[nH]1
InChIKey
CNOOVUYXUJVGIZ-UHFFFAOYSA-N
Molecular formula
C16H22N2
Average molar mass
242.36 g/mol

Names & identifiers

Preferred name
Xylometazoline metabolite
IUPAC
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazole

Names & synonyms

Xylometazoline metaboliteSCHEMBL79831642-(4-tert-Butyl-2,6-dimethylbenzyl)-1H-imidazole #2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-1H-imidazole

Database identifiers

PubChem CID
557409

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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