2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C60H52F6N4O4S2 — CID 143830702

About 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 143830702) has the molecular formula C60H52F6N4O4S2 and a molecular weight of 1071.22 g/mol. Its IUPAC name is 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 143830702
• Molecular Formula: C60H52F6N4O4S2
• Molecular Weight: 1071.22 g/mol
• Exact Mass: 1070.33
• IUPAC Name: 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC(C)S(=O)c1cccc(Oc2cccc(-c3c(CC4=CC(C)(C)C=C4)nc4c(C(F)(F)F)cccn34)c2)c1.CCS(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1
• InChI: InChI=1S/C31H29F3N2O2S.C29H23F3N2O2S/c1-20(2)39(37)25-11-6-10-24(18-25)38-23-9-5-8-22(17-23)28-27(16-21-13-14-30(3,4)19-21)35-29-26(31(32,33)34)12-7-15-36(28)29;1-2-37(35)24-14-7-13-23(19-24)36-22-12-6-11-21(18-22)27-26(17-20-9-4-3-5-10-20)33-28-25(29(30,31)32)15-8-16-34(27)28/h5-15,17-20H,16H2,1-4H3;3-16,18-19H,2,17H2,1H3
• InChIKey: GCQZSOFJOGBOFA-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.22
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 143830702) is 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)S(=O)c1cccc(Oc2cccc(-c3c(CC4=CC(C)(C)C=C4)nc4c(C(F)(F)F)cccn34)c2)c1.CCS(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1.

What is the InChIKey of 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is GCQZSOFJOGBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N2O2S.C29H23F3N2O2S/c1-20(2)39(37)25-11-6-10-24(18-25)38-23-9-5-8-22(17-23)28-27(16-21-13-14-30(3,4)19-21)35-29-26(31(32,33)34)12-7-15-36(28)29;1-2-37(35)24-14-7-13-23(19-24)36-22-12-6-11-21(18-22)27-26(17-20-9-4-3-5-10-20)33-28-25(29(30,31)32)15-8-16-34(27)28/h5-15,17-20H,16H2,1-4H3;3-16,18-19H,2,17H2,1H3.

What are the key properties of 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine?

2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1071.22 g/mol, XLogP of 15.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-3-[3-(3-ethylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-[3-(3-propan-2-ylsulfinylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143830702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).