4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one

C11H12Cl2N2O3 — CID 175939792

IUPAC4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one
SMILES[2H]c1cc(OCOC)c(C2CNC(=O)N2)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-17-5-18-8-3-2-6(12)10(13)9(8)7-4-14-11(16)15-7/h2-3,7H,4-5H2,1H3,(H2,14,15,16)/i2D
InChIKeyXHTKHXJPCNJABR-VMNATFBRSA-N
MW292.14 g/mol
LogP2.33
Rot. Bonds4

About 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one

4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one (PubChem CID 175939792) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 292.14 g/mol. Its IUPAC name is 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one
PubChem CID175939792
Molecular FormulaC11H12Cl2N2O3
Molecular Weight292.14 g/mol
Exact Mass291.03
IUPAC Name4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one
SMILES[2H]c1cc(OCOC)c(C2CNC(=O)N2)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-17-5-18-8-3-2-6(12)10(13)9(8)7-4-14-11(16)15-7/h2-3,7H,4-5H2,1H3,(H2,14,15,16)/i2D
InChIKeyXHTKHXJPCNJABR-VMNATFBRSA-N
XLogP2.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one (CID 175939792) is 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one is [2H]c1cc(OCOC)c(C2CNC(=O)N2)c(Cl)c1Cl.
What is the InChIKey of 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one?
The InChIKey is XHTKHXJPCNJABR-VMNATFBRSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-17-5-18-8-3-2-6(12)10(13)9(8)7-4-14-11(16)15-7/h2-3,7H,4-5H2,1H3,(H2,14,15,16)/i2D.
What are the key properties of 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one?
4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one has a molecular weight of 292.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dichloro-4-deuterio-6-(methoxymethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 175939792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).