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N-[2-(1H-Imidazol-2-yl)ethyl]-2-[[3-(1,1-dimethylethyl)-benzoyl]amino]benzamide

HCID 20085684
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ncc[nH]2)c1
InChIKey
NCZMZFGUBAWHIT-UHFFFAOYSA-N
Molecular formula
C23H26N4O2
Average molar mass
390.5 g/mol

Names & identifiers

Preferred name
N-[2-(1H-Imidazol-2-yl)ethyl]-2-[[3-(1,1-dimethylethyl)-benzoyl]amino]benzamide
IUPAC
2-[(3-tert-butylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide

Names & synonyms

SCHEMBL9221688NCZMZFGUBAWHIT-UHFFFAOYSA-NN-[2-(1H-Imidazol-2-yl)ethyl]-2-[[3-(1,1-dimethylethyl)-benzoyl]amino]benzamide

Database identifiers

PubChem CID
20085684

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
86.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
560

Related reactions

2 records
New reaction record
HRID 959071 reaction equation
HRID 959071As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1608837 reaction equation
HRID 1608837As productuspto-grants-1995_03

Compound notes

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