3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-5,6-dimethyl-1H-benzimidazol-2-one

HCID 20385643
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Basic information

Standard SMILES
Cc1cc2[nH]c(=O)n(CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)c2cc1C
InChIKey
YQXQLRUXEWKGHX-UHFFFAOYSA-N
Molecular formula
C23H28ClN3O2
Average molar mass
413.9 g/mol
Monoisotopic mass
413.1870048

Names & identifiers

Preferred name
3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-5,6-dimethyl-1H-benzimidazol-2-one
IUPAC
3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-5,6-dimethyl-1H-benzimidazol-2-one

Database identifiers

PubChem CID
20385643

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
55.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
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Compound notes

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