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-isopropyl-N-methyl-acetamide

HCID 57732382
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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(CC(=O)N(C)C(C)C)CC1
InChIKey
DTVREGCXDXSSAN-OIDHKYIRSA-N
Molecular formula
C38H44Cl2N6O3
Average molar mass
703.7 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-isopropyl-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-methyl-N-propan-2-ylacetamide

Names & synonyms

SCHEMBL1380623DTVREGCXDXSSAN-OIDHKYIRSA-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-isopropyl-N-methyl-acetamide2-(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-isopropyl-N-methyl-acetamide

Database identifiers

PubChem CID
57732382

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
92.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
49

Related reactions

1 records
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Compound notes

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