3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one

C16H22N2O2 — CID 83242702

IUPAC3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-14-9-7-12(8-10-14)16-17-11-15(19)18(16)13-5-3-2-4-6-13/h7-10,13,16-17H,2-6,11H2,1H3
InChIKeyQZPKFDUJSLNQMP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.46
Rot. Bonds3

About 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one

3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one (PubChem CID 83242702) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
PubChem CID83242702
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-14-9-7-12(8-10-14)16-17-11-15(19)18(16)13-5-3-2-4-6-13/h7-10,13,16-17H,2-6,11H2,1H3
InChIKeyQZPKFDUJSLNQMP-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one (CID 83242702) is 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one is COc1ccc(C2NCC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one?
The InChIKey is QZPKFDUJSLNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-14-9-7-12(8-10-14)16-17-11-15(19)18(16)13-5-3-2-4-6-13/h7-10,13,16-17H,2-6,11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one?
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).