3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one

C18H28N2O — CID 83225204

IUPAC3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)(CC)NC1c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O/c1-7-14(5)20-16(19-18(6,8-2)17(20)21)15-11-12(3)9-10-13(15)4/h9-11,14,16,19H,7-8H2,1-6H3
InChIKeyXVLHSWCSKMSMBS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.70
Rot. Bonds4

About 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one

3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one (PubChem CID 83225204) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
PubChem CID83225204
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)(CC)NC1c1cc(C)ccc1C
InChIInChI=1S/C18H28N2O/c1-7-14(5)20-16(19-18(6,8-2)17(20)21)15-11-12(3)9-10-13(15)4/h9-11,14,16,19H,7-8H2,1-6H3
InChIKeyXVLHSWCSKMSMBS-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one (CID 83225204) is 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one is CCC(C)N1C(=O)C(C)(CC)NC1c1cc(C)ccc1C.
What is the InChIKey of 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one?
The InChIKey is XVLHSWCSKMSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-7-14(5)20-16(19-18(6,8-2)17(20)21)15-11-12(3)9-10-13(15)4/h9-11,14,16,19H,7-8H2,1-6H3.
What are the key properties of 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one?
3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83225204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).