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N-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-4-yl}acetamide

HCID 178474083
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)cc1
InChIKey
MDJDLHSQYRTGNB-UHFFFAOYSA-N
Molecular formula
C21H23N3O2
Average molar mass
349.4 g/mol
Monoisotopic mass
349.17902698

Names & identifiers

Preferred name
N-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-4-yl}acetamide
IUPAC
N-[4-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide

Names & synonyms

CHEMBL1766177SCHEMBL5688374MDJDLHSQYRTGNB-UHFFFAOYSA-NBDBM50342176N-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-4-yl}acetamiderac-N-{4''-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1''-biphenyl]-4-yl}acetamide

Database identifiers

PubChem CID
18668583

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
78 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
468

Related reactions

2 records
New reaction record
HRID 811143 reaction equation
HRID 811143As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1059175 reaction equation
HRID 1059175As productuspto-grants-2003_02

Compound notes

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