2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one

C15H21FN2O2 — CID 83260276

IUPAC2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
SMILESCCCOCCCN1C(=O)CNC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-9-20-10-3-8-18-14(19)11-17-15(18)12-4-6-13(16)7-5-12/h4-7,15,17H,2-3,8-11H2,1H3
InChIKeyRCSRHSCRSVJUQH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.07
Rot. Bonds7

About 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one

2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one (PubChem CID 83260276) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
PubChem CID83260276
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
SMILESCCCOCCCN1C(=O)CNC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-9-20-10-3-8-18-14(19)11-17-15(18)12-4-6-13(16)7-5-12/h4-7,15,17H,2-3,8-11H2,1H3
InChIKeyRCSRHSCRSVJUQH-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.07
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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Related Compounds

3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83269616
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-fluorophenyl)imidazolidin-4-one
CID 83254925
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
3-(2-cyclopentylethyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256276
3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
CID 83238048
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one (CID 83260276) is 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one is CCCOCCCN1C(=O)CNC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The InChIKey is RCSRHSCRSVJUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-9-20-10-3-8-18-14(19)11-17-15(18)12-4-6-13(16)7-5-12/h4-7,15,17H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one has a molecular weight of 280.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one is sourced from PubChem (CID 83260276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).