5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one

C17H26N2O — CID 83239760

IUPAC5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(Cc2ccccc2)NC1C(C)C
InChIInChI=1S/C17H26N2O/c1-5-13(4)19-16(12(2)3)18-15(17(19)20)11-14-9-7-6-8-10-14/h6-10,12-13,15-16,18H,5,11H2,1-4H3
InChIKeyCGYBUNVREDIIGL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds5

About 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one

5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83239760) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one
PubChem CID83239760
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(Cc2ccccc2)NC1C(C)C
InChIInChI=1S/C17H26N2O/c1-5-13(4)19-16(12(2)3)18-15(17(19)20)11-14-9-7-6-8-10-14/h6-10,12-13,15-16,18H,5,11H2,1-4H3
InChIKeyCGYBUNVREDIIGL-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-benzyl-1-butan-2-yl-7-methyl-1,4-diazepane-2,5-dione
CID 79445452
5-benzyl-3-(2-methylsulfanylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83258033
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
CID 83253722
5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247652
5-benzyl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83246189
5-benzyl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83252653
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743
5-benzyl-2-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83243023
(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
CID 59883976
3-benzyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883140
3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one (CID 83239760) is 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one is CCC(C)N1C(=O)C(Cc2ccccc2)NC1C(C)C.
What is the InChIKey of 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is CGYBUNVREDIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-13(4)19-16(12(2)3)18-15(17(19)20)11-14-9-7-6-8-10-14/h6-10,12-13,15-16,18H,5,11H2,1-4H3.
What are the key properties of 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one?
5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).