5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one

C18H28N2O — CID 83246817

IUPAC5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CC(C)(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-5-6-12-15-17(21)20(13-18(2,3)4)16(19-15)14-10-8-7-9-11-14/h7-11,15-16,19H,5-6,12-13H2,1-4H3
InChIKeyCOLDIONXHOBXMZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds5

About 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one

5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one (PubChem CID 83246817) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
PubChem CID83246817
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CC(C)(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-5-6-12-15-17(21)20(13-18(2,3)4)16(19-15)14-10-8-7-9-11-14/h7-11,15-16,19H,5-6,12-13H2,1-4H3
InChIKeyCOLDIONXHOBXMZ-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
CID 83270970
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
CID 83247055
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83247509
5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244729
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
3-(3-methoxy-2-methylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83252910

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one (CID 83246817) is 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one is CCCCC1NC(c2ccccc2)N(CC(C)(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one?
The InChIKey is COLDIONXHOBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-6-12-15-17(21)20(13-18(2,3)4)16(19-15)14-10-8-7-9-11-14/h7-11,15-16,19H,5-6,12-13H2,1-4H3.
What are the key properties of 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one?
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one has a molecular weight of 288.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83246817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).