5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one

C18H28N2O — CID 83252512

IUPAC5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(CC)NC1c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-5-7-8-14(4)20-17(19-16(6-2)18(20)21)15-11-9-13(3)10-12-15/h9-12,14,16-17,19H,5-8H2,1-4H3
InChIKeyKDJVFDKIJOJGDY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.78
Rot. Bonds6

About 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one

5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83252512) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83252512
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(CC)NC1c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-5-7-8-14(4)20-17(19-16(6-2)18(20)21)15-11-9-13(3)10-12-15/h9-12,14,16-17,19H,5-8H2,1-4H3
InChIKeyKDJVFDKIJOJGDY-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one (CID 83252512) is 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one is CCCCC(C)N1C(=O)C(CC)NC1c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is KDJVFDKIJOJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-7-8-14(4)20-17(19-16(6-2)18(20)21)15-11-9-13(3)10-12-15/h9-12,14,16-17,19H,5-8H2,1-4H3.
What are the key properties of 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one?
5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83252512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).