5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid

C11H9F3N2O2 — CID 23116810

IUPAC5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C9H8N2.C2HF3O2/c1-2-4-8(5-3-1)9-6-10-7-11-9;3-2(4,5)1(6)7/h1-7H,(H,10,11);(H,6,7)
InChIKeyDEGBLQIJNYLNIK-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.71
Rot. Bonds1

About 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid

5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid (PubChem CID 23116810) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid
PubChem CID23116810
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C9H8N2.C2HF3O2/c1-2-4-8(5-3-1)9-6-10-7-11-9;3-2(4,5)1(6)7/h1-7H,(H,10,11);(H,6,7)
InChIKeyDEGBLQIJNYLNIK-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid (CID 23116810) is 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is DEGBLQIJNYLNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2HF3O2/c1-2-4-8(5-3-1)9-6-10-7-11-9;3-2(4,5)1(6)7/h1-7H,(H,10,11);(H,6,7).
What are the key properties of 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid?
5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 258.20 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23116810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).