2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one

C15H21FN2O2 — CID 115282292

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOc1ccc(C2NC(CC(C)C)C(=O)N2C)cc1F
InChIInChI=1S/C15H21FN2O2/c1-9(2)7-12-15(19)18(3)14(17-12)10-5-6-13(20-4)11(16)8-10/h5-6,8-9,12,14,17H,7H2,1-4H3
InChIKeyQSDIIYKTLATUGH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.31
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one

2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 115282292) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID115282292
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOc1ccc(C2NC(CC(C)C)C(=O)N2C)cc1F
InChIInChI=1S/C15H21FN2O2/c1-9(2)7-12-15(19)18(3)14(17-12)10-5-6-13(20-4)11(16)8-10/h5-6,8-9,12,14,17H,7H2,1-4H3
InChIKeyQSDIIYKTLATUGH-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 115282292) is 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one is COc1ccc(C2NC(CC(C)C)C(=O)N2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is QSDIIYKTLATUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-9(2)7-12-15(19)18(3)14(17-12)10-5-6-13(20-4)11(16)8-10/h5-6,8-9,12,14,17H,7H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 280.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 115282292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).