2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one

C16H23ClN2O2 — CID 83233410

IUPAC2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-14-16(20)19(10-5-11-21-4-2)15(18-14)12-6-8-13(17)9-7-12/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyVSZMCPWJDMTUHY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one

2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one (PubChem CID 83233410) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one
PubChem CID83233410
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-3-14-16(20)19(10-5-11-21-4-2)15(18-14)12-6-8-13(17)9-7-12/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyVSZMCPWJDMTUHY-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.98
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 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one (CID 83233410) is 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one is CCOCCCN1C(=O)C(CC)NC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one?
The InChIKey is VSZMCPWJDMTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-14-16(20)19(10-5-11-21-4-2)15(18-14)12-6-8-13(17)9-7-12/h6-9,14-15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one?
2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one has a molecular weight of 310.83 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one is sourced from PubChem (CID 83233410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).