2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one

C17H26N2O2 — CID 83269616

IUPAC2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
SMILESCCCOCCCN1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-4-9-21-10-5-8-19-16(20)12-18-17(19)15-11-13(2)6-7-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3
InChIKeySRNHLCHOBHVLTH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds7

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

2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one (PubChem CID 83269616) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
PubChem CID83269616
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
SMILESCCCOCCCN1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-4-9-21-10-5-8-19-16(20)12-18-17(19)15-11-13(2)6-7-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3
InChIKeySRNHLCHOBHVLTH-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83252968
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
2-(2,5-dimethylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
CID 83252083
3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83249885
2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254467
2-(2,5-dimethylphenyl)-3-(1-ethoxypropan-2-yl)imidazolidin-4-one
CID 83247452
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83252372
3-(2-cyclopentylethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83246005

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one (CID 83269616) is 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one is CCCOCCCN1C(=O)CNC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
The InChIKey is SRNHLCHOBHVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-9-21-10-5-8-19-16(20)12-18-17(19)15-11-13(2)6-7-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.55, 7 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-(3-propoxypropyl)imidazolidin-4-one is sourced from PubChem (CID 83269616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).