5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one

C21H22ClN3O — CID 67637938

IUPAC5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one
SMILESO=C1NCC(C2NCCC=C2Cc2ccccc2)N1c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c22-17-10-4-5-11-18(17)25-19(14-24-21(25)26)20-16(9-6-12-23-20)13-15-7-2-1-3-8-15/h1-5,7-11,19-20,23H,6,12-14H2,(H,24,26)
InChIKeyHCWNSQXULJGOCK-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.77
Rot. Bonds4

About 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one

5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one (PubChem CID 67637938) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one
PubChem CID67637938
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one
SMILESO=C1NCC(C2NCCC=C2Cc2ccccc2)N1c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O/c22-17-10-4-5-11-18(17)25-19(14-24-21(25)26)20-16(9-6-12-23-20)13-15-7-2-1-3-8-15/h1-5,7-11,19-20,23H,6,12-14H2,(H,24,26)
InChIKeyHCWNSQXULJGOCK-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one (CID 67637938) is 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one is O=C1NCC(C2NCCC=C2Cc2ccccc2)N1c1ccccc1Cl.
What is the InChIKey of 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one?
The InChIKey is HCWNSQXULJGOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-17-10-4-5-11-18(17)25-19(14-24-21(25)26)20-16(9-6-12-23-20)13-15-7-2-1-3-8-15/h1-5,7-11,19-20,23H,6,12-14H2,(H,24,26).
What are the key properties of 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one?
5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one has a molecular weight of 367.88 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 67637938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).