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[2-(4-Tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

HCID 73037272
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCCCC2)CC1
InChIKey
MATZAUMENBRKDE-UHFFFAOYSA-N
Molecular formula
C38H46Cl2N4O2
Average molar mass
661.7 g/mol
Monoisotopic mass
660.2997821

Names & identifiers

Preferred name
[2-(4-Tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
IUPAC
[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Database identifiers

PubChem CID
73037272

Properties

Computed structural properties

XLogP
8.8
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
46
Formal charge
0
Complexity
1,020

Related reactions

1 records
New reaction record
HRID 697412 reaction equation
HRID 697412As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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