2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

C16H22N2O2 — CID 83254467

IUPAC2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2CC2CCOC2)c1
InChIInChI=1S/C16H22N2O2/c1-11-3-4-12(2)14(7-11)16-17-8-15(19)18(16)9-13-5-6-20-10-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyFAWZDAZYLDNMBR-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (PubChem CID 83254467) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
PubChem CID83254467
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2CC2CCOC2)c1
InChIInChI=1S/C16H22N2O2/c1-11-3-4-12(2)14(7-11)16-17-8-15(19)18(16)9-13-5-6-20-10-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyFAWZDAZYLDNMBR-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83248824
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
2-(2,5-dimethylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
CID 83252083
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513
3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83249885
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83269616
2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83255125
2-(2,5-dimethylphenyl)-3-(2-methoxycyclopentyl)imidazolidin-4-one
CID 83254030
3-(2-cyclopentylethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83246005
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (CID 83254467) is 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is Cc1ccc(C)c(C2NCC(=O)N2CC2CCOC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is FAWZDAZYLDNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-3-4-12(2)14(7-11)16-17-8-15(19)18(16)9-13-5-6-20-10-13/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).