chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury

C8H13ClHgN2O3 — CID 18788

IUPACchloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury
SMILESCOC(C[Hg]Cl)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H13N2O3.ClH.Hg/c1-6(13-3)4-10-7(11)5-9(2)8(10)12;;/h6H,1,4-5H2,2-3H3;1H;/q;;+1/p-1
InChIKeyDVCUEBLYZSYOAH-UHFFFAOYSA-M
MW421.25 g/mol
LogP0.55
Rot. Bonds5

About chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury

chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury (PubChem CID 18788) has the molecular formula C8H13ClHgN2O3 and a molecular weight of 421.25 g/mol. Its IUPAC name is chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury.

Molecular Properties

Compound Namechloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury
PubChem CID18788
Molecular FormulaC8H13ClHgN2O3
Molecular Weight421.25 g/mol
Exact Mass422.03
IUPAC Namechloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury
SMILESCOC(C[Hg]Cl)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H13N2O3.ClH.Hg/c1-6(13-3)4-10-7(11)5-9(2)8(10)12;;/h6H,1,4-5H2,2-3H3;1H;/q;;+1/p-1
InChIKeyDVCUEBLYZSYOAH-UHFFFAOYSA-M
XLogP0.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury?
The IUPAC name of chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury (CID 18788) is chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury.
What is the SMILES notation for chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury?
The canonical SMILES for chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury is COC(C[Hg]Cl)CN1C(=O)CN(C)C1=O.
What is the InChIKey of chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury?
The InChIKey is DVCUEBLYZSYOAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N2O3.ClH.Hg/c1-6(13-3)4-10-7(11)5-9(2)8(10)12;;/h6H,1,4-5H2,2-3H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury?
chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury has a molecular weight of 421.25 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury is sourced from PubChem (CID 18788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).