1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

C18H15F3N2OS — CID 3583411

IUPAC1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESCc1ccn2c(C(=O)CSc3cccc(C(F)(F)F)c3)c(C)nc2c1
InChIInChI=1S/C18H15F3N2OS/c1-11-6-7-23-16(8-11)22-12(2)17(23)15(24)10-25-14-5-3-4-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyBNGSSQBXZCESEO-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.94
Rot. Bonds4

About 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 3583411) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID3583411
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESCc1ccn2c(C(=O)CSc3cccc(C(F)(F)F)c3)c(C)nc2c1
InChIInChI=1S/C18H15F3N2OS/c1-11-6-7-23-16(8-11)22-12(2)17(23)15(24)10-25-14-5-3-4-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyBNGSSQBXZCESEO-UHFFFAOYSA-N
XLogP4.94
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CID 3583411) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is Cc1ccn2c(C(=O)CSc3cccc(C(F)(F)F)c3)c(C)nc2c1.
What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is BNGSSQBXZCESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-11-6-7-23-16(8-11)22-12(2)17(23)15(24)10-25-14-5-3-4-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 364.39 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 3583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).