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-(2-methoxy-1-methyl-ethyl)-acetamide

HCID 57732389
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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)NC(C)COC)CC1
InChIKey
DHQMKFHLEKQMAM-QQIBRJBOSA-N
Molecular formula
C38H44Cl2N6O4
Average molar mass
719.7 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-(2-methoxy-1-methyl-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-(1-methoxypropan-2-yl)acetamide

Names & synonyms

SCHEMBL1382776DHQMKFHLEKQMAM-QQIBRJBOSA-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-(2-methoxy-1-methyl-ethyl)-acetamide

Database identifiers

PubChem CID
57732389

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
50

Related reactions

1 records
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Compound notes

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