5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one

C17H26N2O2 — CID 83245971

IUPAC5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CC)NC1c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-4-6-9-12-19-16(18-14(5-2)17(19)20)13-10-7-8-11-15(13)21-3/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3
InChIKeyBVQFVUVIXFGJJB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.09
Rot. Bonds7

About 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one

5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one (PubChem CID 83245971) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one
PubChem CID83245971
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CC)NC1c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-4-6-9-12-19-16(18-14(5-2)17(19)20)13-10-7-8-11-15(13)21-3/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3
InChIKeyBVQFVUVIXFGJJB-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one (CID 83245971) is 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one is CCCCCN1C(=O)C(CC)NC1c1ccccc1OC.
What is the InChIKey of 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one?
The InChIKey is BVQFVUVIXFGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-9-12-19-16(18-14(5-2)17(19)20)13-10-7-8-11-15(13)21-3/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one?
5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one is sourced from PubChem (CID 83245971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).