1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one

C12H12Cl2N2O3 — CID 5044431

IUPAC1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one
SMILESCON1C(=O)CN(C(C)=O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-7(17)15-6-11(18)16(19-2)12(15)9-4-3-8(13)5-10(9)14/h3-5,12H,6H2,1-2H3
InChIKeyWPERESUGKHUSSX-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.24
Rot. Bonds2

About 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one

1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one (PubChem CID 5044431) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one.

Molecular Properties

Compound Name1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one
PubChem CID5044431
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one
SMILESCON1C(=O)CN(C(C)=O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-7(17)15-6-11(18)16(19-2)12(15)9-4-3-8(13)5-10(9)14/h3-5,12H,6H2,1-2H3
InChIKeyWPERESUGKHUSSX-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one?
The IUPAC name of 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one (CID 5044431) is 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one.
What is the SMILES notation for 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one?
The canonical SMILES for 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one is CON1C(=O)CN(C(C)=O)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one?
The InChIKey is WPERESUGKHUSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-7(17)15-6-11(18)16(19-2)12(15)9-4-3-8(13)5-10(9)14/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one?
1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one has a molecular weight of 303.15 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-(2,4-dichlorophenyl)-3-methoxyimidazolidin-4-one is sourced from PubChem (CID 5044431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).