2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one

C16H22N2O2 — CID 83249352

IUPAC2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)C(=O)N1CC1CCCOC1
InChIInChI=1S/C16H22N2O2/c1-12-17-15(14-7-3-2-4-8-14)16(19)18(12)10-13-6-5-9-20-11-13/h2-4,7-8,12-13,15,17H,5-6,9-11H2,1H3
InChIKeyWXVWRNHNBZCLJD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one

2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one (PubChem CID 83249352) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
PubChem CID83249352
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)C(=O)N1CC1CCCOC1
InChIInChI=1S/C16H22N2O2/c1-12-17-15(14-7-3-2-4-8-14)16(19)18(12)10-13-6-5-9-20-11-13/h2-4,7-8,12-13,15,17H,5-6,9-11H2,1H3
InChIKeyWXVWRNHNBZCLJD-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one (CID 83249352) is 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one is CC1NC(c2ccccc2)C(=O)N1CC1CCCOC1.
What is the InChIKey of 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one?
The InChIKey is WXVWRNHNBZCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-17-15(14-7-3-2-4-8-14)16(19)18(12)10-13-6-5-9-20-11-13/h2-4,7-8,12-13,15,17H,5-6,9-11H2,1H3.
What are the key properties of 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one?
2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83249352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).