2-phenyl-1-(trifluoromethylsulfonyl)imidazole

C10H7F3N2O2S — CID 69479486

IUPAC2-phenyl-1-(trifluoromethylsulfonyl)imidazole
SMILESO=S(=O)(n1ccnc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)15-7-6-14-9(15)8-4-2-1-3-5-8/h1-7H
InChIKeyMMRMBCHTEDZNBJ-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.25
Rot. Bonds2

About 2-phenyl-1-(trifluoromethylsulfonyl)imidazole

2-phenyl-1-(trifluoromethylsulfonyl)imidazole (PubChem CID 69479486) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-phenyl-1-(trifluoromethylsulfonyl)imidazole.

Molecular Properties

Compound Name2-phenyl-1-(trifluoromethylsulfonyl)imidazole
PubChem CID69479486
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name2-phenyl-1-(trifluoromethylsulfonyl)imidazole
SMILESO=S(=O)(n1ccnc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)15-7-6-14-9(15)8-4-2-1-3-5-8/h1-7H
InChIKeyMMRMBCHTEDZNBJ-UHFFFAOYSA-N
XLogP2.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-1-(trifluoromethylsulfonyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(trifluoromethylsulfonyl)imidazole?
The IUPAC name of 2-phenyl-1-(trifluoromethylsulfonyl)imidazole (CID 69479486) is 2-phenyl-1-(trifluoromethylsulfonyl)imidazole.
What is the SMILES notation for 2-phenyl-1-(trifluoromethylsulfonyl)imidazole?
The canonical SMILES for 2-phenyl-1-(trifluoromethylsulfonyl)imidazole is O=S(=O)(n1ccnc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenyl-1-(trifluoromethylsulfonyl)imidazole?
The InChIKey is MMRMBCHTEDZNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)15-7-6-14-9(15)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenyl-1-(trifluoromethylsulfonyl)imidazole?
2-phenyl-1-(trifluoromethylsulfonyl)imidazole has a molecular weight of 276.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(trifluoromethylsulfonyl)imidazole is sourced from PubChem (CID 69479486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).