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

C21H22ClN3O — CID 19066538

IUPAC1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)CCN1C1NCCC=C1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O/c22-18-9-4-10-19(15-18)24-12-13-25(21(24)26)20-17(8-5-11-23-20)14-16-6-2-1-3-7-16/h1-4,6-10,15,20,23H,5,11-14H2
InChIKeyCXUDZQOAWCGOCM-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.07
Rot. Bonds4

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

1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one (PubChem CID 19066538) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one
PubChem CID19066538
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)CCN1C1NCCC=C1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O/c22-18-9-4-10-19(15-18)24-12-13-25(21(24)26)20-17(8-5-11-23-20)14-16-6-2-1-3-7-16/h1-4,6-10,15,20,23H,5,11-14H2
InChIKeyCXUDZQOAWCGOCM-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
CID 118115135
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463
5-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-1-(2-chlorophenyl)imidazolidin-2-one
CID 67637938
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride
CID 70156229
1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45267270
1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one
CID 44520768
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
2-(3-bromophenyl)-1-(3-chlorophenyl)imidazolidine
CID 100951353
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-(3-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111825529

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one (CID 19066538) is 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one is O=C1N(c2cccc(Cl)c2)CCN1C1NCCC=C1Cc1ccccc1.
What is the InChIKey of 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one?
The InChIKey is CXUDZQOAWCGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-9-4-10-19(15-18)24-12-13-25(21(24)26)20-17(8-5-11-23-20)14-16-6-2-1-3-7-16/h1-4,6-10,15,20,23H,5,11-14H2.
What are the key properties of 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one?
1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one has a molecular weight of 367.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,2,3,6-tetrahydropyridin-6-yl)-3-(3-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 19066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).