5-phenyl-1H-imidazole;trifluoromethanesulfonic acid

C10H9F3N2O3S — CID 23116833

IUPAC5-phenyl-1H-imidazole;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C9H8N2.CHF3O3S/c1-2-4-8(5-3-1)9-6-10-7-11-9;2-1(3,4)8(5,6)7/h1-7H,(H,10,11);(H,5,6,7)
InChIKeyYMYVZRHGKUJLGV-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.47
Rot. Bonds1

About 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid

5-phenyl-1H-imidazole;trifluoromethanesulfonic acid (PubChem CID 23116833) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name5-phenyl-1H-imidazole;trifluoromethanesulfonic acid
PubChem CID23116833
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name5-phenyl-1H-imidazole;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C9H8N2.CHF3O3S/c1-2-4-8(5-3-1)9-6-10-7-11-9;2-1(3,4)8(5,6)7/h1-7H,(H,10,11);(H,5,6,7)
InChIKeyYMYVZRHGKUJLGV-UHFFFAOYSA-N
XLogP2.47
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid?
The IUPAC name of 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid (CID 23116833) is 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid.
What is the SMILES notation for 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid?
The canonical SMILES for 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid?
The InChIKey is YMYVZRHGKUJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.CHF3O3S/c1-2-4-8(5-3-1)9-6-10-7-11-9;2-1(3,4)8(5,6)7/h1-7H,(H,10,11);(H,5,6,7).
What are the key properties of 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid?
5-phenyl-1H-imidazole;trifluoromethanesulfonic acid has a molecular weight of 294.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-imidazole;trifluoromethanesulfonic acid is sourced from PubChem (CID 23116833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).