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-methoxy-N-methyl-acetamide
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(C)OC)CC1- InChIKey
IFJJZMDDBHBJMO-JHOUSYSJSA-N- Molecular formula
- C36H40Cl2N6O4
- Average molar mass
- 691.6 g/mol
- Monoisotopic mass
- 690.2488092
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-methoxy-N-methyl-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-methoxy-N-methylacetamide
Names & synonyms
SCHEMBL1384897IFJJZMDDBHBJMO-JHOUSYSJSA-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-methoxy-N-methyl-acetamide
Database identifiers
- PubChem CID
- 57732359
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
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