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isopropyl(1-trityl-1H-imidazol-4-yl)ketone

HCID 10150490
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
337536-18-2
Standard SMILES
CC(C)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey
WUNZCWYFDRPACL-UHFFFAOYSA-N
Molecular formula
C26H24N2O
Average molar mass
380.5 g/mol
Monoisotopic mass
380.18886339

Names & identifiers

Preferred name
isopropyl(1-trityl-1H-imidazol-4-yl)ketone
IUPAC
2-methyl-1-(1-tritylimidazol-4-yl)propan-1-one

Names & synonyms

isopropyl(1-trityl-1H-imidazol-4-yl)ketone337536-18-2SCHEMBL1414845DTXSID10436179WUNZCWYFDRPACL-UHFFFAOYSA-N2-methyl-1-[1-(triphenylmethyl)-1H-imidazol-4-yl]propan-1-one1-(1-trityl-1h-imidazol-4-yl)-2-methyl-1-propanone2-methyl-1-(1-trityl-1H-imidazol-4-yl)-1-propanone

Database identifiers

CAS
337536-18-2
PubChem CID
10150490
DTXSID
DTXSID10436179
Nikkaji
J1.796.402J

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
481

Related reactions

7 records
New reaction record
HRID 173575 reaction equation
HRID 173575As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 947818 reaction equation
HRID 947818As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1059132 reaction equation
HRID 1059132As reactantuspto-grants-2003_02
HRID 1059142 reaction equation
HRID 1059142As reactantuspto-grants-2003_02
HRID 1061869 reaction equation
HRID 1061869As reactantuspto-grants-2005_11
HRID 1061880 reaction equation
HRID 1061880As reactantuspto-grants-2005_11
HRID 1061894 reaction equation
HRID 1061894As reactantuspto-grants-2005_11

Compound notes

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