3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one

C18H28N2O — CID 83238348

IUPAC3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-6-7-12-20-16(19-13(2)17(20)21)14-8-10-15(11-9-14)18(3,4)5/h8-11,13,16,19H,6-7,12H2,1-5H3
InChIKeyWPQWGKKHJUVVMY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.60
Rot. Bonds4

About 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one

3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one (PubChem CID 83238348) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
PubChem CID83238348
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-6-7-12-20-16(19-13(2)17(20)21)14-8-10-15(11-9-14)18(3,4)5/h8-11,13,16,19H,6-7,12H2,1-5H3
InChIKeyWPQWGKKHJUVVMY-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one (CID 83238348) is 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one is CCCCN1C(=O)C(C)NC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one?
The InChIKey is WPQWGKKHJUVVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-7-12-20-16(19-13(2)17(20)21)14-8-10-15(11-9-14)18(3,4)5/h8-11,13,16,19H,6-7,12H2,1-5H3.
What are the key properties of 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one?
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83238348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).