2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole

C28H20F3N3O4S — CID 163215736

About 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole

2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole (PubChem CID 163215736) has the molecular formula C28H20F3N3O4S and a molecular weight of 551.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
• PubChem CID: 163215736
• Molecular Formula: C28H20F3N3O4S
• Molecular Weight: 551.55 g/mol
• Exact Mass: 551.11
• IUPAC Name: 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
• SMILES: COc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6cc(C(F)(F)F)ccc6n5)cc34)cs2)cc1
• InChI: InChI=1S/C28H20F3N3O4S/c1-35-19-6-3-16(4-7-19)27-32-18(15-39-27)14-37-23-9-20(36-2)10-24-21(23)11-25(38-24)22-13-34-12-17(28(29,30)31)5-8-26(34)33-22/h3-13,15H,14H2,1-2H3
• InChIKey: PKRAXDWFYPRSNS-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 71.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.55
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole?

The IUPAC name of 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole (CID 163215736) is 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole.

What is the SMILES notation for 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole?

The canonical SMILES for 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole is COc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6cc(C(F)(F)F)ccc6n5)cc34)cs2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole?

The InChIKey is PKRAXDWFYPRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O4S/c1-35-19-6-3-16(4-7-19)27-32-18(15-39-27)14-37-23-9-20(36-2)10-24-21(23)11-25(38-24)22-13-34-12-17(28(29,30)31)5-8-26(34)33-22/h3-13,15H,14H2,1-2H3.

What are the key properties of 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole?

2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole has a molecular weight of 551.55 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 163215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).