2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one

C16H22N2O2 — CID 83248824

IUPAC2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCOC1
InChIInChI=1S/C16H22N2O2/c1-12-5-2-3-7-14(12)16-17-9-15(19)18(16)10-13-6-4-8-20-11-13/h2-3,5,7,13,16-17H,4,6,8-11H2,1H3
InChIKeyNGNNIHZJIFXWMD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one

2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one (PubChem CID 83248824) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
PubChem CID83248824
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCOC1
InChIInChI=1S/C16H22N2O2/c1-12-5-2-3-7-14(12)16-17-9-15(19)18(16)10-13-6-4-8-20-11-13/h2-3,5,7,13,16-17H,4,6,8-11H2,1H3
InChIKeyNGNNIHZJIFXWMD-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one (CID 83248824) is 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1CC1CCCOC1.
What is the InChIKey of 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is NGNNIHZJIFXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-2-3-7-14(12)16-17-9-15(19)18(16)10-13-6-4-8-20-11-13/h2-3,5,7,13,16-17H,4,6,8-11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one?
2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83248824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).