2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one

C16H24N2O2 — CID 83253955

IUPAC2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
SMILESCCC(C)CN1C(=O)CNC1c1ccc(OC)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-11(2)10-18-15(19)9-17-16(18)13-6-7-14(20-4)12(3)8-13/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyBFIHEKZTZDRLBK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one

2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one (PubChem CID 83253955) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
PubChem CID83253955
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
SMILESCCC(C)CN1C(=O)CNC1c1ccc(OC)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-11(2)10-18-15(19)9-17-16(18)13-6-7-14(20-4)12(3)8-13/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyBFIHEKZTZDRLBK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one (CID 83253955) is 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one is CCC(C)CN1C(=O)CNC1c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one?
The InChIKey is BFIHEKZTZDRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-11(2)10-18-15(19)9-17-16(18)13-6-7-14(20-4)12(3)8-13/h6-8,11,16-17H,5,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one?
2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-(2-methylbutyl)imidazolidin-4-one is sourced from PubChem (CID 83253955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).