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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Related Compounds

2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
CID 25265505
1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
CID 158159036
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
CID 53322648
2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
CID 65230757
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 10155997
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
CID 10182190
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535
N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142070569
5-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]-1,3-benzoxazole
CID 122594511

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).