5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one

C17H26N2O — CID 83253722

IUPAC5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(Cc2ccccc2)NC1C
InChIInChI=1S/C17H26N2O/c1-4-5-9-13(2)19-14(3)18-16(17(19)20)12-15-10-7-6-8-11-15/h6-8,10-11,13-14,16,18H,4-5,9,12H2,1-3H3
InChIKeyUQQSRIANWMLIPY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds6

About 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one

5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one (PubChem CID 83253722) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
PubChem CID83253722
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(Cc2ccccc2)NC1C
InChIInChI=1S/C17H26N2O/c1-4-5-9-13(2)19-14(3)18-16(17(19)20)12-15-10-7-6-8-11-15/h6-8,10-11,13-14,16,18H,4-5,9,12H2,1-3H3
InChIKeyUQQSRIANWMLIPY-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83252653
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
5-benzyl-3-hexyl-2-methylimidazolidin-4-one
CID 83263610
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83239760
2-methyl-3-(1-methylsulfanylpropan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114929249
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
5-benzyl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83246189
3-(1-methoxypropan-2-yl)-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921482
5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
CID 83270412
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one (CID 83253722) is 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one is CCCCC(C)N1C(=O)C(Cc2ccccc2)NC1C.
What is the InChIKey of 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one?
The InChIKey is UQQSRIANWMLIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-9-13(2)19-14(3)18-16(17(19)20)12-15-10-7-6-8-11-15/h6-8,10-11,13-14,16,18H,4-5,9,12H2,1-3H3.
What are the key properties of 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one?
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one is sourced from PubChem (CID 83253722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).