3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one

C15H20N2O3 — CID 83256047

IUPAC3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CC2COCCO2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11-15(18)17(9-13-10-19-7-8-20-13)14(16-11)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyBMQDGMHIEJQHOP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one

3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one (PubChem CID 83256047) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one
PubChem CID83256047
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CC2COCCO2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11-15(18)17(9-13-10-19-7-8-20-13)14(16-11)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyBMQDGMHIEJQHOP-UHFFFAOYSA-N
XLogP0.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83245722
5-methyl-3-(3-methylbutyl)-2-phenylimidazolidin-4-one
CID 83237421
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83237246
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258294
3-[2-(diethylamino)ethyl]-5-methyl-2-phenylimidazolidin-4-one
CID 83240103
3-(dicyclopropylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83252343
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83255818

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one (CID 83256047) is 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one is CC1NC(c2ccccc2)N(CC2COCCO2)C1=O.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
The InChIKey is BMQDGMHIEJQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-15(18)17(9-13-10-19-7-8-20-13)14(16-11)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one?
3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).