5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

C18H20ClN3O2 — CID 123888651

IUPAC5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
SMILESCCC1C(=O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-2-15-16(13-5-3-6-14(19)11-13)22(18(24)17(15)23)9-4-8-21-10-7-20-12-21/h3,5-7,10-12,15-16H,2,4,8-9H2,1H3
InChIKeyUBKQGQCZEPFEFH-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.11
Rot. Bonds6

About 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione (PubChem CID 123888651) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
PubChem CID123888651
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
SMILESCCC1C(=O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-2-15-16(13-5-3-6-14(19)11-13)22(18(24)17(15)23)9-4-8-21-10-7-20-12-21/h3,5-7,10-12,15-16H,2,4,8-9H2,1H3
InChIKeyUBKQGQCZEPFEFH-UHFFFAOYSA-N
XLogP3.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 123225684
5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123435016
2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
CID 25099411
5-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 3253812
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 90909335
(4E,5R)-4-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-5-(3-chlorophenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 98319017
1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
(4Z)-5-(3-chlorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 23848869
1-(3-imidazol-1-ylpropyl)-4-methyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 123671110
(5R)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 41080636
5-(3,4-dihydro-2H-pyran-2-yl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 123906892
(5R)-5-(3-chlorophenyl)-4-[hydroxy-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 41011845

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione (CID 123888651) is 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is CCC1C(=O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
The InChIKey is UBKQGQCZEPFEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-15-16(13-5-3-6-14(19)11-13)22(18(24)17(15)23)9-4-8-21-10-7-20-12-21/h3,5-7,10-12,15-16H,2,4,8-9H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione?
5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione has a molecular weight of 345.83 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123888651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).