(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl chloride

HCID 86602323

Basic information

Standard SMILES
CCOc1cc(C(C)(C)CO)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Cl
InChIKey
XVEVDEKHHFMQDJ-LOSJGSFVSA-N
Molecular formula
C28H27Cl3N2O3
Average molar mass
545.9 g/mol

Names & identifiers

Preferred name
(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl chloride
IUPAC
(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4,5-dihydroimidazole-1-carbonyl chloride

Names & synonyms

SCHEMBL1383735XVEVDEKHHFMQDJ-LOSJGSFVSA-N(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl chloride

Database identifiers

PubChem CID
86602323

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
36

Related reactions

5 records

Linked notes

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