2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N,N-bis-(2-methoxy-ethyl)-acetamide

HCID 57732383
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1ccc(C(C)(C)C#N)cc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N(CCOC)CCOC)CC1
InChIKey
IVFODWZPJSTETP-PQQNNWGCSA-N
Molecular formula
C40H48Cl2N6O5
Average molar mass
763.7 g/mol

Names & identifiers

Preferred name
2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N,N-bis-(2-methoxy-ethyl)-acetamide
IUPAC
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[5-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide

Names & synonyms

SCHEMBL1380860IVFODWZPJSTETP-PQQNNWGCSA-N2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N,N-bis-(2-methoxy-ethyl)-acetamide

Database identifiers

PubChem CID
57732383

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
53

Related reactions

1 records
New reaction record

Linked notes

Loading…