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[3-(4-{2-(Piperidine-4-ylmethyl)-1-[4-(4-chloro-phenoxy)-phenyl]-1H-imidazol-4-yl}-phenoxy)-propyl]-diethyl-amine

HCID 59699227
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCN(CC)CCCOc1ccc(-c2cn(-c3ccc(Oc4ccc(Cl)cc4)cc3)c(CC3CCNCC3)n2)cc1
InChIKey
CWJKKWDGWQDQBK-UHFFFAOYSA-N
Molecular formula
C34H41ClN4O2
Average molar mass
573.2 g/mol

Names & identifiers

Preferred name
[3-(4-{2-(Piperidine-4-ylmethyl)-1-[4-(4-chloro-phenoxy)-phenyl]-1H-imidazol-4-yl}-phenoxy)-propyl]-diethyl-amine
IUPAC
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(piperidin-4-ylmethyl)imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine

Names & synonyms

SCHEMBL1283724CWJKKWDGWQDQBK-UHFFFAOYSA-N[3-(4-{2-(Piperidine-4-ylmethyl)-1-[4-(4-chloro-phenoxy)-phenyl]-1H-imidazol-4-yl}-phenoxy)-propyl]-diethyl-amine

Database identifiers

PubChem CID
59699227

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
51.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
41
Formal charge
0
Complexity
712

Related reactions

4 records
New reaction record
HRID 17747 reaction equation
HRID 17747As reactantuspto-grants-2010_06
HRID 688716 reaction equation
HRID 688716As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 901736 reaction equation
HRID 901736As reactantuspto-grants-2008_04
HRID 2237070 reaction equation
HRID 2237070As reactantuspto-grants-2010_05

Compound notes

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