3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one

C17H26N2O — CID 114923519

IUPAC3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCC(C(C)C)N1CNC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H26N2O/c1-4-16(13(2)3)19-12-18-15(17(19)20)11-10-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyLNIHRXUWDFXLKJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds6

About 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one

3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one (PubChem CID 114923519) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one
PubChem CID114923519
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCC(C(C)C)N1CNC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H26N2O/c1-4-16(13(2)3)19-12-18-15(17(19)20)11-10-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyLNIHRXUWDFXLKJ-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
CID 114923850
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
3-cyclopentyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921872
5-benzyl-3-(1-methoxypropan-2-yl)imidazolidin-4-one
CID 83239712
5-benzyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83253471
2-ethyl-3-(2-methylpropyl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114921798
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxy-3-methylpentanamide
CID 16718474
2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114921334
3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114927820
3-(2-cyclopropylpropyl)-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114929268
5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
CID 83246662

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one (CID 114923519) is 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one is CCC(C(C)C)N1CNC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is LNIHRXUWDFXLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-16(13(2)3)19-12-18-15(17(19)20)11-10-14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3.
What are the key properties of 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one?
3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 114923519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).