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
- Formal charge
- 0
- Complexity
- 651
Related reactions
6 records
Compound notes
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