2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one

C14H19ClN2O2 — CID 83236742

IUPAC2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-3-19-9-8-17-13(16-10(2)14(17)18)11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyZPTWQRBSLAWGKN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one

2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one (PubChem CID 83236742) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
PubChem CID83236742
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-3-19-9-8-17-13(16-10(2)14(17)18)11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyZPTWQRBSLAWGKN-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.20
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-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one (CID 83236742) is 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one is CCOCCN1C(=O)C(C)NC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The InChIKey is ZPTWQRBSLAWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-19-9-8-17-13(16-10(2)14(17)18)11-4-6-12(15)7-5-11/h4-7,10,13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one has a molecular weight of 282.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).