2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one

C16H24N2O2 — CID 83242516

IUPAC2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1ccccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-12(6-2)18-15(17-11(3)16(18)19)13-9-7-8-10-14(13)20-4/h7-12,15,17H,5-6H2,1-4H3
InChIKeyKQEQSWOARZAZEJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one

2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83242516) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
PubChem CID83242516
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1ccccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-12(6-2)18-15(17-11(3)16(18)19)13-9-7-8-10-14(13)20-4/h7-12,15,17H,5-6H2,1-4H3
InChIKeyKQEQSWOARZAZEJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one (CID 83242516) is 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one is CCC(CC)N1C(=O)C(C)NC1c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is KQEQSWOARZAZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-12(6-2)18-15(17-11(3)16(18)19)13-9-7-8-10-14(13)20-4/h7-12,15,17H,5-6H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one?
2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83242516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).