2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H17F3N4O3S — CID 46877578

IUPAC2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(-n4ccnc4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3
InChIKeyGRHBEGZXUDYQLG-UHFFFAOYSA-N
MW498.49 g/mol
LogP5.40
Rot. Bonds5

About 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 46877578) has the molecular formula C24H17F3N4O3S and a molecular weight of 498.49 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID46877578
Molecular FormulaC24H17F3N4O3S
Molecular Weight498.49 g/mol
Exact Mass498.10
IUPAC Name2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3c(-n4ccnc4)nc4c(C(F)(F)F)cccn34)c2)c1
InChIInChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3
InChIKeyGRHBEGZXUDYQLG-UHFFFAOYSA-N
XLogP5.40
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 46877578) is 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1cccc(Oc2cccc(-c3c(-n4ccnc4)nc4c(C(F)(F)F)cccn34)c2)c1.
What is the InChIKey of 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is GRHBEGZXUDYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3.
What are the key properties of 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 498.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46877578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).