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1-[2-Chloro-2-(2,4,6-trimethylphenyl)ethyl]imidazole

HCID 19870528
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(C)c(C(Cl)Cn2ccnc2)c(C)c1
InChIKey
CPCUPYBELJPLDC-UHFFFAOYSA-N
Molecular formula
C14H17ClN2
Average molar mass
248.75 g/mol

Names & identifiers

Preferred name
1-[2-Chloro-2-(2,4,6-trimethylphenyl)ethyl]imidazole
IUPAC
1-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]imidazole

Names & synonyms

SCHEMBL9370881CPCUPYBELJPLDC-UHFFFAOYSA-N1-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]imidazole

Database identifiers

PubChem CID
19870528

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
234

Related reactions

2 records
New reaction record
HRID 89483 reaction equation
HRID 89483As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 330010 reaction equation
HRID 330010As reactantuspto-grants-1990_01

Compound notes

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