5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

C17H25N3O3 — CID 90371540

IUPAC5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2=CCNC2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-17(13-6-4-3-5-7-13)15(22)20(16(23)19(17)2)11-14(21)12-8-9-18-10-12/h8,13,18H,3-7,9-11H2,1-2H3
InChIKeyWPTYRAGKPWZVGR-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.32
Rot. Bonds4

About 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 90371540) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID90371540
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2=CCNC2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-17(13-6-4-3-5-7-13)15(22)20(16(23)19(17)2)11-14(21)12-8-9-18-10-12/h8,13,18H,3-7,9-11H2,1-2H3
InChIKeyWPTYRAGKPWZVGR-UHFFFAOYSA-N
XLogP1.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (CID 90371540) is 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)C2=CCNC2)C(=O)C1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WPTYRAGKPWZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(13-6-4-3-5-7-13)15(22)20(16(23)19(17)2)11-14(21)12-8-9-18-10-12/h8,13,18H,3-7,9-11H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 90371540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).