2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-(2-methoxy-1-methyl-ethyl)-acetamide

HCID 11556709

Notes Reactions

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Basic information

Standard SMILES: CCOc1cc(C(C)(C)C#N)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)COC)CC1
InChIKey: IZACRTVARWNYQQ-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-[4-(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-[4-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

Names & synonyms

SCHEMBL1381927IZACRTVARWNYQQ-QQIBRJBOSA-N2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[4-(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: 11556709

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 50
Formal charge: 0
Complexity: 1,220

Related reactions

1 records

New reaction record

HRID 2425688As productuspto-grants-2011_06

Compound notes

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