2-{4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetamide

HCID 17754802

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Basic information

Standard SMILES: CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(N)=O)CC1
InChIKey: ABWGQCJGOGJNGM-MPQUPPDSSA-N
Molecular formula: C36H43Cl2N5O3
Average molar mass: 664.7 g/mol

Names & identifiers

Preferred name: 2-{4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetamide
IUPAC: 2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetamide

Names & synonyms

SCHEMBL1547077ABWGQCJGOGJNGM-MPQUPPDSSA-N2-{4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetamide

Database identifiers

PubChem CID: 17754802

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 91.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 46
Formal charge: 0
Complexity: 1,110

Related reactions

1 records

New reaction record

HRID 2263888As productuspto-grants-2010_12

Compound notes

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