5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one

C16H32N2O — CID 83252330

IUPAC5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(C)CCCC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-7-12(4)15-16(19)18(14(6)17-15)13(5)10-8-9-11(2)3/h11-15,17H,7-10H2,1-6H3
InChIKeyRSTWMAPSDAUJRU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.39
Rot. Bonds7

About 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one

5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one (PubChem CID 83252330) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
PubChem CID83252330
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(C)CCCC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-7-12(4)15-16(19)18(14(6)17-15)13(5)10-8-9-11(2)3/h11-15,17H,7-10H2,1-6H3
InChIKeyRSTWMAPSDAUJRU-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163
5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83250264
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
CID 83249576
5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
CID 83248188
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616
2-ethyl-3-(6-methylheptan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252990
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263151

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one (CID 83252330) is 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one is CCC(C)C1NC(C)N(C(C)CCCC(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one?
The InChIKey is RSTWMAPSDAUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-12(4)15-16(19)18(14(6)17-15)13(5)10-8-9-11(2)3/h11-15,17H,7-10H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83252330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).