Basic information
- Standard SMILES
CCCCc1ncc(CCNC(Cc2ccccc2)C(=O)OC)n1Cc1ccccc1Cl- InChIKey
XKNPFWBCLXTMPN-UHFFFAOYSA-N- Molecular formula
- C26H32ClN3O2
- Average molar mass
- 454 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-phenylpropanoate
- IUPAC
- methyl 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-phenylpropanoate
Names & synonyms
SCHEMBL9214266
Database identifiers
- PubChem CID
- 19793541
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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