5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

C17H25N3O3 — CID 18775724

IUPAC5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C
InChIInChI=1S/C17H25N3O3/c1-6-17(7-2)15(22)20(16(23)18-17)10-14(21)13-9-11(4)19(8-3)12(13)5/h9H,6-8,10H2,1-5H3,(H,18,23)
InChIKeyWFNGQVJATDLPGK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.42
Rot. Bonds6

About 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 18775724) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID18775724
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C
InChIInChI=1S/C17H25N3O3/c1-6-17(7-2)15(22)20(16(23)18-17)10-14(21)13-9-11(4)19(8-3)12(13)5/h9H,6-8,10H2,1-5H3,(H,18,23)
InChIKeyWFNGQVJATDLPGK-UHFFFAOYSA-N
XLogP2.42
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 18775724) is 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is CCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C.
What is the InChIKey of 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is WFNGQVJATDLPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-6-17(7-2)15(22)20(16(23)18-17)10-14(21)13-9-11(4)19(8-3)12(13)5/h9H,6-8,10H2,1-5H3,(H,18,23).
What are the key properties of 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18775724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).