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alpha-(o-Tert.-butylphenyl)-alpha-phenyl-1-vinylimidazole-2-methanol

HCID 12433926
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cn1ccnc1C(O)(c1ccccc1)c1ccccc1C(C)(C)C
InChIKey
PJOOADBJVHDEQZ-UHFFFAOYSA-N
Molecular formula
C22H24N2O
Average molar mass
332.4 g/mol
Monoisotopic mass
332.18886339

Names & identifiers

Preferred name
alpha-(o-Tert.-butylphenyl)-alpha-phenyl-1-vinylimidazole-2-methanol
IUPAC
(2-tert-butylphenyl)-(1-ethenylimidazol-2-yl)-phenylmethanol

Names & synonyms

SCHEMBL11535928PJOOADBJVHDEQZ-UHFFFAOYSA-Nalpha-(o-tert.-butylphenyl)-alpha-phenyl-1-vinylimidazole-2-methanol

Database identifiers

PubChem CID
12433926

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
451

Related reactions

3 records
New reaction record
HRID 113388 reaction equation
HRID 113388As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 261952 reaction equation
HRID 261952As productuspto-grants-1979_05
HRID 261953 reaction equation
HRID 261953As reactantuspto-grants-1979_05

Compound notes

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