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

C16H23ClN2O2 — CID 83232560

IUPAC2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)(CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-4-16(3)15(20)19(10-11-21-5-2)14(18-16)12-6-8-13(17)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyBRQXSPBYYIPBDT-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.98
Rot. Bonds6

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

2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one (PubChem CID 83232560) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
PubChem CID83232560
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)(CC)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-4-16(3)15(20)19(10-11-21-5-2)14(18-16)12-6-8-13(17)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyBRQXSPBYYIPBDT-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one (CID 83232560) is 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one is CCOCCN1C(=O)C(C)(CC)NC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one?
The InChIKey is BRQXSPBYYIPBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-16(3)15(20)19(10-11-21-5-2)14(18-16)12-6-8-13(17)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one?
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one has a molecular weight of 310.83 g/mol, XLogP of 2.98, 6 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-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83232560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).