5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one

C14H28N2O — CID 83246045

IUPAC5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C14H28N2O/c1-6-8-9-13-14(17)16(12(5)15-13)11(4)10(3)7-2/h10-13,15H,6-9H2,1-5H3
InChIKeyQFHVELXRTUFSBB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds6

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

5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one (PubChem CID 83246045) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
PubChem CID83246045
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C14H28N2O/c1-6-8-9-13-14(17)16(12(5)15-13)11(4)10(3)7-2/h10-13,15H,6-9H2,1-5H3
InChIKeyQFHVELXRTUFSBB-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
CID 83264581
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626
5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83239379
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one (CID 83246045) is 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one is CCCCC1NC(C)N(C(C)C(C)CC)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one?
The InChIKey is QFHVELXRTUFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-8-9-13-14(17)16(12(5)15-13)11(4)10(3)7-2/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one?
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83246045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).