5-benzyl-3-hexan-2-ylimidazolidin-4-one

C16H24N2O — CID 83254120

IUPAC5-benzyl-3-hexan-2-ylimidazolidin-4-one
SMILESCCCCC(C)N1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H24N2O/c1-3-4-8-13(2)18-12-17-15(16(18)19)11-14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3
InChIKeyIIOZSDCNPJQCJX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds6

About 5-benzyl-3-hexan-2-ylimidazolidin-4-one

5-benzyl-3-hexan-2-ylimidazolidin-4-one (PubChem CID 83254120) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-benzyl-3-hexan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-hexan-2-ylimidazolidin-4-one
PubChem CID83254120
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-benzyl-3-hexan-2-ylimidazolidin-4-one
SMILESCCCCC(C)N1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H24N2O/c1-3-4-8-13(2)18-12-17-15(16(18)19)11-14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3
InChIKeyIIOZSDCNPJQCJX-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-hexan-2-ylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-hexan-2-ylimidazolidin-4-one (CID 83254120) is 5-benzyl-3-hexan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-hexan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-hexan-2-ylimidazolidin-4-one is CCCCC(C)N1CNC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-3-hexan-2-ylimidazolidin-4-one?
The InChIKey is IIOZSDCNPJQCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-8-13(2)18-12-17-15(16(18)19)11-14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 5-benzyl-3-hexan-2-ylimidazolidin-4-one?
5-benzyl-3-hexan-2-ylimidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.57, 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-ylimidazolidin-4-one is sourced from PubChem (CID 83254120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).