chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury

C9H15ClHgN2O3 — CID 18993

IUPACchloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury
SMILESCOC(C[Hg]Cl)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H15N2O3.ClH.Hg/c1-6(14-4)5-11-7(12)9(2,3)10-8(11)13;;/h6H,1,5H2,2-4H3,(H,10,13);1H;/q;;+1/p-1
InChIKeyBTQOHLURROEVNT-UHFFFAOYSA-M
MW435.27 g/mol
LogP0.99
Rot. Bonds5

About chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury

chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury (PubChem CID 18993) has the molecular formula C9H15ClHgN2O3 and a molecular weight of 435.27 g/mol. Its IUPAC name is chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury.

Molecular Properties

Compound Namechloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury
PubChem CID18993
Molecular FormulaC9H15ClHgN2O3
Molecular Weight435.27 g/mol
Exact Mass436.05
IUPAC Namechloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury
SMILESCOC(C[Hg]Cl)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H15N2O3.ClH.Hg/c1-6(14-4)5-11-7(12)9(2,3)10-8(11)13;;/h6H,1,5H2,2-4H3,(H,10,13);1H;/q;;+1/p-1
InChIKeyBTQOHLURROEVNT-UHFFFAOYSA-M
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury?
The IUPAC name of chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury (CID 18993) is chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury.
What is the SMILES notation for chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury?
The canonical SMILES for chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury is COC(C[Hg]Cl)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury?
The InChIKey is BTQOHLURROEVNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N2O3.ClH.Hg/c1-6(14-4)5-11-7(12)9(2,3)10-8(11)13;;/h6H,1,5H2,2-4H3,(H,10,13);1H;/q;;+1/p-1.
What are the key properties of chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury?
chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury has a molecular weight of 435.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury is sourced from PubChem (CID 18993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).