1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)

C11H9F3N2Pt — CID 59403993

IUPAC1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)
SMILESCN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Pt+2]
InChIInChI=1S/C11H9F3N2.Pt/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;+2
InChIKeyQBSYBEXRVJUQQX-UHFFFAOYSA-N
MW421.28 g/mol
LogP2.85
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)

1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+) (PubChem CID 59403993) has the molecular formula C11H9F3N2Pt and a molecular weight of 421.28 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+).

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)
PubChem CID59403993
Molecular FormulaC11H9F3N2Pt
Molecular Weight421.28 g/mol
Exact Mass421.04
IUPAC Name1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)
SMILESCN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Pt+2]
InChIInChI=1S/C11H9F3N2.Pt/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;+2
InChIKeyQBSYBEXRVJUQQX-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+) (CID 59403993) is 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+).
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+) is CN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Pt+2].
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)?
The InChIKey is QBSYBEXRVJUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2.Pt/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;+2.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)?
1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+) has a molecular weight of 421.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+) is sourced from PubChem (CID 59403993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).