5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one

C16H23FN2O2 — CID 83245843

IUPAC5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
SMILESCCC1NC(c2cccc(F)c2)N(CCCCOC)C1=O
InChIInChI=1S/C16H23FN2O2/c1-3-14-16(20)19(9-4-5-10-21-2)15(18-14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeySPPJGCOQYLRISH-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.46
Rot. Bonds7

About 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one

5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one (PubChem CID 83245843) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
PubChem CID83245843
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
SMILESCCC1NC(c2cccc(F)c2)N(CCCCOC)C1=O
InChIInChI=1S/C16H23FN2O2/c1-3-14-16(20)19(9-4-5-10-21-2)15(18-14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeySPPJGCOQYLRISH-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one (CID 83245843) is 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one is CCC1NC(c2cccc(F)c2)N(CCCCOC)C1=O.
What is the InChIKey of 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one?
The InChIKey is SPPJGCOQYLRISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-14-16(20)19(9-4-5-10-21-2)15(18-14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one?
5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one is sourced from PubChem (CID 83245843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).