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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Related Compounds

3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
3-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
3-(2-ethoxyethyl)-5-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83237106
3,5-diethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83239063
3-(2-methoxyethyl)-2-(2-methylphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83247251
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83266949
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83246477

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).