zinc;2-imino-1-methylimidazolidin-4-one;dichloride

C4H7Cl2N3OZn — CID 139267838

IUPACzinc;2-imino-1-methylimidazolidin-4-one;dichloride
SMILES[Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[Zn+2]
InChIInChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2
InChIKeyFSTJUYRQYIWLSX-UHFFFAOYSA-L
MW249.42 g/mol
LogP-7.01
Rot. Bonds

About zinc;2-imino-1-methylimidazolidin-4-one;dichloride

zinc;2-imino-1-methylimidazolidin-4-one;dichloride (PubChem CID 139267838) has the molecular formula C4H7Cl2N3OZn and a molecular weight of 249.42 g/mol. Its IUPAC name is zinc;2-imino-1-methylimidazolidin-4-one;dichloride.

Molecular Properties

Compound Namezinc;2-imino-1-methylimidazolidin-4-one;dichloride
PubChem CID139267838
Molecular FormulaC4H7Cl2N3OZn
Molecular Weight249.42 g/mol
Exact Mass246.93
IUPAC Namezinc;2-imino-1-methylimidazolidin-4-one;dichloride
SMILES[Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[Zn+2]
InChIInChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2
InChIKeyFSTJUYRQYIWLSX-UHFFFAOYSA-L
XLogP-7.01
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 5-7.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;2-imino-1-methylimidazolidin-4-one;dichloride?
The IUPAC name of zinc;2-imino-1-methylimidazolidin-4-one;dichloride (CID 139267838) is zinc;2-imino-1-methylimidazolidin-4-one;dichloride.
What is the SMILES notation for zinc;2-imino-1-methylimidazolidin-4-one;dichloride?
The canonical SMILES for zinc;2-imino-1-methylimidazolidin-4-one;dichloride is [Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[Zn+2].
What is the InChIKey of zinc;2-imino-1-methylimidazolidin-4-one;dichloride?
The InChIKey is FSTJUYRQYIWLSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2.
What are the key properties of zinc;2-imino-1-methylimidazolidin-4-one;dichloride?
zinc;2-imino-1-methylimidazolidin-4-one;dichloride has a molecular weight of 249.42 g/mol, XLogP of -7.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-imino-1-methylimidazolidin-4-one;dichloride is sourced from PubChem (CID 139267838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).