zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride

C8H14Cl2N6O2Zn — CID 137321784

IUPACzinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride
SMILES[Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[H]/N=C1/NC(=O)CN1C.[Zn+2]
InChIInChI=1S/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2
InChIKeySDBNHMFCQJHUNL-UHFFFAOYSA-L
MW362.54 g/mol
LogP-8.03
Rot. Bonds

About zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride

zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride (PubChem CID 137321784) has the molecular formula C8H14Cl2N6O2Zn and a molecular weight of 362.54 g/mol. Its IUPAC name is zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride.

Molecular Properties

Compound Namezinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride
PubChem CID137321784
Molecular FormulaC8H14Cl2N6O2Zn
Molecular Weight362.54 g/mol
Exact Mass359.98
IUPAC Namezinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride
SMILES[Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[H]/N=C1/NC(=O)CN1C.[Zn+2]
InChIInChI=1S/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2
InChIKeySDBNHMFCQJHUNL-UHFFFAOYSA-L
XLogP-8.03
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 5-8.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;bis(2-imino-1-methylimidazolidin-4-one);dichloride?
The IUPAC name of zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride (CID 137321784) is zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride.
What is the SMILES notation for zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride?
The canonical SMILES for zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride is [Cl-].[Cl-].[H]/N=C1/NC(=O)CN1C.[H]/N=C1/NC(=O)CN1C.[Zn+2].
What is the InChIKey of zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride?
The InChIKey is SDBNHMFCQJHUNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2.
What are the key properties of zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride?
zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride has a molecular weight of 362.54 g/mol, XLogP of -8.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-imino-1-methylimidazolidin-4-one);dichloride is sourced from PubChem (CID 137321784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).