1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide

C7H16I2N2O2Rh — CID 171376624

IUPAC1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
SMILESCC(O)O.CN1C=CN(C)C1.[I-].[I-].[Rh+2]
InChIInChI=1S/C5H10N2.C2H6O2.2HI.Rh/c1-6-3-4-7(2)5-6;1-2(3)4;;;/h3-4H,5H2,1-2H3;2-4H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyPSCZZFHUKZZZTR-UHFFFAOYSA-L
MW516.93 g/mol
LogP-6.39
Rot. Bonds

About 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide

1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide (PubChem CID 171376624) has the molecular formula C7H16I2N2O2Rh and a molecular weight of 516.93 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
PubChem CID171376624
Molecular FormulaC7H16I2N2O2Rh
Molecular Weight516.93 g/mol
Exact Mass516.84
IUPAC Name1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
SMILESCC(O)O.CN1C=CN(C)C1.[I-].[I-].[Rh+2]
InChIInChI=1S/C5H10N2.C2H6O2.2HI.Rh/c1-6-3-4-7(2)5-6;1-2(3)4;;;/h3-4H,5H2,1-2H3;2-4H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyPSCZZFHUKZZZTR-UHFFFAOYSA-L
XLogP-6.39
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.93
LogP ≤ 5-6.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide?
The IUPAC name of 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide (CID 171376624) is 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide?
The canonical SMILES for 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide is CC(O)O.CN1C=CN(C)C1.[I-].[I-].[Rh+2].
What is the InChIKey of 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide?
The InChIKey is PSCZZFHUKZZZTR-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10N2.C2H6O2.2HI.Rh/c1-6-3-4-7(2)5-6;1-2(3)4;;;/h3-4H,5H2,1-2H3;2-4H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide?
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide has a molecular weight of 516.93 g/mol, XLogP of -6.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide is sourced from PubChem (CID 171376624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).