Diethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonate

HCID 57500985

Basic information

Standard SMILES
CCCCc1ncc(C(Cc2ccccc2)(C(=O)OCC)C(=O)OCC)n1Cc1ccccc1Cl
InChIKey
OXLVQQYYADCWHP-UHFFFAOYSA-N
Molecular formula
C28H33ClN2O4
Average molar mass
497 g/mol

Names & identifiers

Preferred name
Diethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonate
IUPAC
diethyl 2-benzyl-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]propanedioate

Names & synonyms

diethyl (2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzylmalonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonateSCHEMBL7549368OXLVQQYYADCWHP-UHFFFAOYSA-Ndiethyl [2-n-butyl-1-{(2-chlorophenyl)methyl} -1h-imidazol-5-yl]-2-benzylmalonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzyl -malonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzyl-malonatediethyl[2-n-butyl-1-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]-2-benzylmalonate

Database identifiers

PubChem CID
57500985

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
35

Related reactions

6 records

Compound notes

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