2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)

C16H10F3N2W+ — CID 22969457

IUPAC2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
SMILESFC(F)(F)c1cccc(-c2cnc(-c3c[c-]ccc3)[nH]2)c1.[W+2]
InChIInChI=1S/C16H10F3N2.W/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;/h1-2,4-10H,(H,20,21);/q-1;+2
InChIKeyBCNUZZKWBPQWQO-UHFFFAOYSA-N
MW471.10 g/mol
LogP4.56
Rot. Bonds2

About 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)

2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+) (PubChem CID 22969457) has the molecular formula C16H10F3N2W+ and a molecular weight of 471.10 g/mol. Its IUPAC name is 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+).

Molecular Properties

Compound Name2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
PubChem CID22969457
Molecular FormulaC16H10F3N2W+
Molecular Weight471.10 g/mol
Exact Mass471.03
IUPAC Name2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
SMILESFC(F)(F)c1cccc(-c2cnc(-c3c[c-]ccc3)[nH]2)c1.[W+2]
InChIInChI=1S/C16H10F3N2.W/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;/h1-2,4-10H,(H,20,21);/q-1;+2
InChIKeyBCNUZZKWBPQWQO-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.10
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)?
The IUPAC name of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+) (CID 22969457) is 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+).
What is the SMILES notation for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)?
The canonical SMILES for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+) is FC(F)(F)c1cccc(-c2cnc(-c3c[c-]ccc3)[nH]2)c1.[W+2].
What is the InChIKey of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)?
The InChIKey is BCNUZZKWBPQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.W/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;/h1-2,4-10H,(H,20,21);/q-1;+2.
What are the key properties of 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)?
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+) has a molecular weight of 471.10 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+) is sourced from PubChem (CID 22969457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).