2-{3-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-(4-ethanesulfonyl-piperazine-1-carbonyl)-4,5-dihydro-1H-imidazol-2-yl]-4-ethoxy-phenyl}-2-methyl-propionitrile

HCID 11614527
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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(S(=O)(=O)CC)CC1
InChIKey
JMJFKLYBXJHTQU-IOWSJCHKSA-N
Molecular formula
C34H37Cl2N5O4S
Average molar mass
682.7 g/mol

Names & identifiers

Preferred name
2-{3-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-(4-ethanesulfonyl-piperazine-1-carbonyl)-4,5-dihydro-1H-imidazol-2-yl]-4-ethoxy-phenyl}-2-methyl-propionitrile
IUPAC
2-[3-[(4S,5R)-4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxyphenyl]-2-methylpropanenitrile

Names & synonyms

SCHEMBL1383592JMJFKLYBXJHTQU-IOWSJCHKSA-N2-{3-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-(4-ethanesulfonyl-piperazine-1-carbonyl)-4,5-dihydro-1H-imidazol-2-yl]-4-ethoxy-phenyl}-2-methyl-propionitrile

Database identifiers

PubChem CID
11614527

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
115 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
46

Related reactions

1 records
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Compound notes

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