2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one

C18H28N2O — CID 83246425

IUPAC2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC(C)C)NC1c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O/c1-6-9-20-17(15-11-13(4)7-8-14(15)5)19-16(18(20)21)10-12(2)3/h7-8,11-12,16-17,19H,6,9-10H2,1-5H3
InChIKeyVECCDEQBHXWAAT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one

2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one (PubChem CID 83246425) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
PubChem CID83246425
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(CC(C)C)NC1c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O/c1-6-9-20-17(15-11-13(4)7-8-14(15)5)19-16(18(20)21)10-12(2)3/h7-8,11-12,16-17,19H,6,9-10H2,1-5H3
InChIKeyVECCDEQBHXWAAT-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one (CID 83246425) is 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one is CCCN1C(=O)C(CC(C)C)NC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one?
The InChIKey is VECCDEQBHXWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-9-20-17(15-11-13(4)7-8-14(15)5)19-16(18(20)21)10-12(2)3/h7-8,11-12,16-17,19H,6,9-10H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one is sourced from PubChem (CID 83246425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).