3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine

C23H15F6N3O2S — CID 71569270

IUPAC3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccccc1-c1ccncc1-n1cncc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H15F6N3O2S/c1-35(33,34)21-5-3-2-4-18(21)17-6-7-30-12-20(17)32-13-31-11-19(32)14-8-15(22(24,25)26)10-16(9-14)23(27,28)29/h2-13H,1H3
InChIKeyFDPBTUWUYUMPHT-UHFFFAOYSA-N
MW511.45 g/mol
LogP6.04
Rot. Bonds4

About 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine

3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine (PubChem CID 71569270) has the molecular formula C23H15F6N3O2S and a molecular weight of 511.45 g/mol. Its IUPAC name is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine
PubChem CID71569270
Molecular FormulaC23H15F6N3O2S
Molecular Weight511.45 g/mol
Exact Mass511.08
IUPAC Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine
SMILESCS(=O)(=O)c1ccccc1-c1ccncc1-n1cncc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H15F6N3O2S/c1-35(33,34)21-5-3-2-4-18(21)17-6-7-30-12-20(17)32-13-31-11-19(32)14-8-15(22(24,25)26)10-16(9-14)23(27,28)29/h2-13H,1H3
InChIKeyFDPBTUWUYUMPHT-UHFFFAOYSA-N
XLogP6.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine 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 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine?
The IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine (CID 71569270) is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine?
The canonical SMILES for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine is CS(=O)(=O)c1ccccc1-c1ccncc1-n1cncc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine?
The InChIKey is FDPBTUWUYUMPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O2S/c1-35(33,34)21-5-3-2-4-18(21)17-6-7-30-12-20(17)32-13-31-11-19(32)14-8-15(22(24,25)26)10-16(9-14)23(27,28)29/h2-13H,1H3.
What are the key properties of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine?
3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine has a molecular weight of 511.45 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 71569270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).