5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

C16H22N2O2 — CID 83254637

IUPAC5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCOC2)cc1
InChIInChI=1S/C16H22N2O2/c1-11-3-5-14(6-4-11)15-17-12(2)16(19)18(15)9-13-7-8-20-10-13/h3-6,12-13,15,17H,7-10H2,1-2H3
InChIKeyHWCNVCJLPDVDOR-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (PubChem CID 83254637) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
PubChem CID83254637
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCOC2)cc1
InChIInChI=1S/C16H22N2O2/c1-11-3-5-14(6-4-11)15-17-12(2)16(19)18(15)9-13-7-8-20-10-13/h3-6,12-13,15,17H,7-10H2,1-2H3
InChIKeyHWCNVCJLPDVDOR-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (CID 83254637) is 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CC2CCOC2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is HWCNVCJLPDVDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-3-5-14(6-4-11)15-17-12(2)16(19)18(15)9-13-7-8-20-10-13/h3-6,12-13,15,17H,7-10H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
5-methyl-2-(4-methylphenyl)-3-(oxolan-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 5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83254637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).