2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one

C15H21FN2O2 — CID 83262999

IUPAC2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
SMILESCCCC(COC)N1C(=O)CNC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-5-13(10-20-2)18-14(19)9-17-15(18)11-6-4-7-12(16)8-11/h4,6-8,13,15,17H,3,5,9-10H2,1-2H3
InChIKeyITGJERXUXIAUHX-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one

2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one (PubChem CID 83262999) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
PubChem CID83262999
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
SMILESCCCC(COC)N1C(=O)CNC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-5-13(10-20-2)18-14(19)9-17-15(18)11-6-4-7-12(16)8-11/h4,6-8,13,15,17H,3,5,9-10H2,1-2H3
InChIKeyITGJERXUXIAUHX-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one (CID 83262999) is 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one is CCCC(COC)N1C(=O)CNC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one?
The InChIKey is ITGJERXUXIAUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-5-13(10-20-2)18-14(19)9-17-15(18)11-6-4-7-12(16)8-11/h4,6-8,13,15,17H,3,5,9-10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one?
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one has a molecular weight of 280.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).