toluene-4-sulfonic acid 2-[1-(4-methyl-benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl ester

HCID 57719269

Basic information

Standard SMILES
CCCn1c(CCOS(=O)(=O)c2ccc(C)cc2)cn(Cc2ccc(C)cc2)c1=O
InChIKey
HFAWBLXGRCVXIG-UHFFFAOYSA-N
Molecular formula
C23H28N2O4S
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
toluene-4-sulfonic acid 2-[1-(4-methyl-benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl ester
IUPAC
2-[1-[(4-methylphenyl)methyl]-2-oxo-3-propylimidazol-4-yl]ethyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL3987386HFAWBLXGRCVXIG-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-[1-(4-methyl- benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl estertoluene-4-sulfonic acid 2-[1-(4-methyl-benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl ester

Database identifiers

PubChem CID
57719269

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
30

Related reactions

6 records

Compound notes

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