(4-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-phenoxymethyl]benzoic acid

HCID 9979166
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccccc1COc1ccc(CCOc2ccc(-n3ccnc3)cc2)cc1
InChIKey
BCNUNEOYFPZMQS-UHFFFAOYSA-N
Molecular formula
C25H22N2O4
Average molar mass
414.5 g/mol

Names & identifiers

Preferred name
(4-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-phenoxymethyl]benzoic acid
IUPAC
2-[[4-[2-(4-imidazol-1-ylphenoxy)ethyl]phenoxy]methyl]benzoic acid

Names & synonyms

SCHEMBL4280355BCNUNEOYFPZMQS-UHFFFAOYSA-N(4-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-phenoxymethyl]benzoic acid

Database identifiers

PubChem CID
9979166

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
73.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

Loading…