3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one

C17H26N2O — CID 83236786

IUPAC3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1c1ccccc1C
InChIInChI=1S/C17H26N2O/c1-5-6-11-19-16(14-10-8-7-9-13(14)4)18-15(12(2)3)17(19)20/h7-10,12,15-16,18H,5-6,11H2,1-4H3
InChIKeyZCZOIMHKFOXZSH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.25
Rot. Bonds5

About 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one

3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83236786) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83236786
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1c1ccccc1C
InChIInChI=1S/C17H26N2O/c1-5-6-11-19-16(14-10-8-7-9-13(14)4)18-15(12(2)3)17(19)20/h7-10,12,15-16,18H,5-6,11H2,1-4H3
InChIKeyZCZOIMHKFOXZSH-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83236786) is 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one is CCCCN1C(=O)C(C(C)C)NC1c1ccccc1C.
What is the InChIKey of 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is ZCZOIMHKFOXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-6-11-19-16(14-10-8-7-9-13(14)4)18-15(12(2)3)17(19)20/h7-10,12,15-16,18H,5-6,11H2,1-4H3.
What are the key properties of 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83236786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).