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alpha,alpha-Bis(p-fluorophenyl)-1-(toluene-p-sulphonyl)imidazole-2-methanol

HCID 12433917
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)n2ccnc2C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIKey
PRHIOTFAZDXXJW-UHFFFAOYSA-N
Molecular formula
C23H18F2N2O3S
Average molar mass
440.5 g/mol

Names & identifiers

Preferred name
alpha,alpha-Bis(p-fluorophenyl)-1-(toluene-p-sulphonyl)imidazole-2-methanol
IUPAC
bis(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylimidazol-2-yl]methanol

Names & synonyms

SCHEMBL11535915PRHIOTFAZDXXJW-UHFFFAOYSA-NAM-814/41092686alpha,alpha-bis(p-fluorophenyl)-1-(toluene-p-sulphonyl)imidazole-2-methanolbis(4-fluorophenyl){1-[(4-methylphenyl)sulfonyl]-1H-imidazol-2-yl}methanol

Database identifiers

PubChem CID
12433917

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
80.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
670

Related reactions

2 records
New reaction record
HRID 261932 reaction equation
HRID 261932As reactantuspto-grants-1979_05
HRID 1144588 reaction equation
HRID 1144588As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes