2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one

C17H25ClN2O — CID 83252025

IUPAC2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(CC)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-6-8-12(3)20-16(19-15(5-2)17(20)21)13-9-7-10-14(18)11-13/h7,9-12,15-16,19H,4-6,8H2,1-3H3
InChIKeyZTVUDJOKYFFGBO-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.13
Rot. Bonds6

About 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one

2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one (PubChem CID 83252025) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
PubChem CID83252025
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(CC)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-6-8-12(3)20-16(19-15(5-2)17(20)21)13-9-7-10-14(18)11-13/h7,9-12,15-16,19H,4-6,8H2,1-3H3
InChIKeyZTVUDJOKYFFGBO-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one (CID 83252025) is 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one is CCCCC(C)N1C(=O)C(CC)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one?
The InChIKey is ZTVUDJOKYFFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-6-8-12(3)20-16(19-15(5-2)17(20)21)13-9-7-10-14(18)11-13/h7,9-12,15-16,19H,4-6,8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one?
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one has a molecular weight of 308.85 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83252025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).