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2-{1-[4-(4-Methoxy-phenyl)-butyl]-1H-imidazol-2-yl}-ethanol

HCID 23614536
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCCCn2ccnc2CCO)cc1
InChIKey
ZBRLXFWJHMTXKQ-UHFFFAOYSA-N
Molecular formula
C16H22N2O2
Average molar mass
274.36 g/mol

Names & identifiers

Preferred name
2-{1-[4-(4-Methoxy-phenyl)-butyl]-1H-imidazol-2-yl}-ethanol
IUPAC
2-[1-[4-(4-methoxyphenyl)butyl]imidazol-2-yl]ethanol

Names & synonyms

SCHEMBL5041156ZBRLXFWJHMTXKQ-UHFFFAOYSA-N2-{1-[4-(4-Methoxy-phenyl)-butyl]-1H-imidazol-2-yl}-ethanol

Database identifiers

PubChem CID
23614536

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
47.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
20
Formal charge
0
Complexity
255

Related reactions

5 records
New reaction record
HRID 750944 reaction equation
HRID 750944As productuspto-grants-2008_07
HRID 750945 reaction equation
HRID 750945As reactantuspto-grants-2008_07
HRID 824122 reaction equation
HRID 824122As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1768042 reaction equation
HRID 1768042As productuspto-grants-2007_06
HRID 1768043 reaction equation
HRID 1768043As reactantuspto-grants-2007_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes