2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine

C17H17F2N3O2S — CID 59088217

IUPAC2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine
SMILESCC(F)(F)C1(S(C)(=O)=O)CN(c2ccccc2)C(c2ccccn2)=N1
InChIInChI=1S/C17H17F2N3O2S/c1-16(18,19)17(25(2,23)24)12-22(13-8-4-3-5-9-13)15(21-17)14-10-6-7-11-20-14/h3-11H,12H2,1-2H3
InChIKeyQTXMTOHAHODKER-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.74
Rot. Bonds4

About 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine

2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine (PubChem CID 59088217) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine
PubChem CID59088217
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.40 g/mol
Exact Mass365.10
IUPAC Name2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine
SMILESCC(F)(F)C1(S(C)(=O)=O)CN(c2ccccc2)C(c2ccccn2)=N1
InChIInChI=1S/C17H17F2N3O2S/c1-16(18,19)17(25(2,23)24)12-22(13-8-4-3-5-9-13)15(21-17)14-10-6-7-11-20-14/h3-11H,12H2,1-2H3
InChIKeyQTXMTOHAHODKER-UHFFFAOYSA-N
XLogP2.74
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine (CID 59088217) is 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine is CC(F)(F)C1(S(C)(=O)=O)CN(c2ccccc2)C(c2ccccn2)=N1.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine?
The InChIKey is QTXMTOHAHODKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-16(18,19)17(25(2,23)24)12-22(13-8-4-3-5-9-13)15(21-17)14-10-6-7-11-20-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine?
2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine has a molecular weight of 365.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-5-methylsulfonyl-3-phenyl-4H-imidazol-2-yl]pyridine is sourced from PubChem (CID 59088217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).