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

C15H22N2O — CID 115282112

IUPAC2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1cc(C)ccc1C
InChIInChI=1S/C15H22N2O/c1-5-8-17-14(16-12(4)15(17)18)13-9-10(2)6-7-11(13)3/h6-7,9,12,14,16H,5,8H2,1-4H3
InChIKeyZWAHULRVMGZVKG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds3

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

2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one (PubChem CID 115282112) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
PubChem CID115282112
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1cc(C)ccc1C
InChIInChI=1S/C15H22N2O/c1-5-8-17-14(16-12(4)15(17)18)13-9-10(2)6-7-11(13)3/h6-7,9,12,14,16H,5,8H2,1-4H3
InChIKeyZWAHULRVMGZVKG-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
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-methyl-3-propylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one (CID 115282112) is 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one is CCCN1C(=O)C(C)NC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one?
The InChIKey is ZWAHULRVMGZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-8-17-14(16-12(4)15(17)18)13-9-10(2)6-7-11(13)3/h6-7,9,12,14,16H,5,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.53, 3 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-methyl-3-propylimidazolidin-4-one is sourced from PubChem (CID 115282112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).