methyl-3-[2-n-butyl-1-(2-chlorophenyl)methyl-1H-imidazol-5-yl]-3-hydroxy-2-[(4-pyridyl)methyl]propanoate

HCID 10072019
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Basic information

Standard SMILES
CCCCc1ncc(C(O)C(Cc2ccncc2)C(=O)OC)n1Cc1ccccc1Cl
InChIKey
HWFPFNKWCLXSFP-UHFFFAOYSA-N
Molecular formula
C24H28ClN3O3
Average molar mass
441.9 g/mol
Monoisotopic mass
441.1819195

Names & identifiers

Preferred name
methyl-3-[2-n-butyl-1-(2-chlorophenyl)methyl-1H-imidazol-5-yl]-3-hydroxy-2-[(4-pyridyl)methyl]propanoate
IUPAC
methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-hydroxy-2-(pyridin-4-ylmethyl)propanoate

Names & synonyms

SCHEMBL6961075HWFPFNKWCLXSFP-UHFFFAOYSA-Nmethyl-3-[2-n-butyl-1-(2-chlorophenyl)methyl-1H-imidazol-5-yl]-3-hydroxy-2-[(4-pyridyl)methyl]propanoate

Database identifiers

PubChem CID
10072019

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
77.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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