1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide

C16H22F3I2N3OPt — CID 46237381

IUPAC1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide
SMILESC1COCCN1.CN1C=CN(Cc2ccc(C(F)(F)F)cc2)C1.[I-].[I-].[Pt+2]
InChIInChI=1S/C12H13F3N2.C4H9NO.2HI.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;1-3-6-4-2-5-1;;;/h2-7H,8-9H2,1H3;5H,1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyFTVXHFVGAISTNA-UHFFFAOYSA-L
MW778.25 g/mol
LogP-3.51
Rot. Bonds2

About 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide (PubChem CID 46237381) has the molecular formula C16H22F3I2N3OPt and a molecular weight of 778.25 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide
PubChem CID46237381
Molecular FormulaC16H22F3I2N3OPt
Molecular Weight778.25 g/mol
Exact Mass777.95
IUPAC Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide
SMILESC1COCCN1.CN1C=CN(Cc2ccc(C(F)(F)F)cc2)C1.[I-].[I-].[Pt+2]
InChIInChI=1S/C12H13F3N2.C4H9NO.2HI.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;1-3-6-4-2-5-1;;;/h2-7H,8-9H2,1H3;5H,1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyFTVXHFVGAISTNA-UHFFFAOYSA-L
XLogP-3.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.25
LogP ≤ 5-3.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide (CID 46237381) is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide is C1COCCN1.CN1C=CN(Cc2ccc(C(F)(F)F)cc2)C1.[I-].[I-].[Pt+2].
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide?
The InChIKey is FTVXHFVGAISTNA-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13F3N2.C4H9NO.2HI.Pt/c1-16-6-7-17(9-16)8-10-2-4-11(5-3-10)12(13,14)15;1-3-6-4-2-5-1;;;/h2-7H,8-9H2,1H3;5H,1-4H2;2*1H;/q;;;;+2/p-2.
What are the key properties of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide?
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide has a molecular weight of 778.25 g/mol, XLogP of -3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-2H-imidazole;morpholine;platinum(2+);diiodide is sourced from PubChem (CID 46237381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).