3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one

C16H24N2O2 — CID 83242129

IUPAC3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
SMILESCCCOc1ccc(C2NCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-9-20-14-7-5-13(6-8-14)16-17-10-15(19)18(16)11-12(2)3/h5-8,12,16-17H,4,9-11H2,1-3H3
InChIKeyKKJMZNNFJKGMOD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.56
Rot. Bonds6

About 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one

3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one (PubChem CID 83242129) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
PubChem CID83242129
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
SMILESCCCOc1ccc(C2NCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-9-20-14-7-5-13(6-8-14)16-17-10-15(19)18(16)11-12(2)3/h5-8,12,16-17H,4,9-11H2,1-3H3
InChIKeyKKJMZNNFJKGMOD-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one (CID 83242129) is 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one is CCCOc1ccc(C2NCC(=O)N2CC(C)C)cc1.
What is the InChIKey of 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
The InChIKey is KKJMZNNFJKGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-9-20-14-7-5-13(6-8-14)16-17-10-15(19)18(16)11-12(2)3/h5-8,12,16-17H,4,9-11H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one?
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83242129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).