4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C27H28N4O2S — CID 55515621

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 55515621) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
• PubChem CID: 55515621
• Molecular Formula: C27H28N4O2S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.19
• IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
• SMILES: Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(C)c1
• InChI: InChI=1S/C27H28N4O2S/c1-18-13-19(2)26(20(3)14-18)29-25(32)16-30(4)27(33)21-8-10-23(11-9-21)34-17-22-15-31-12-6-5-7-24(31)28-22/h5-15H,16-17H2,1-4H3,(H,29,32)
• InChIKey: YYFPOHPSXUPTAE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 55515621) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(C)c1.

What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The InChIKey is YYFPOHPSXUPTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-13-19(2)26(20(3)14-18)29-25(32)16-30(4)27(33)21-8-10-23(11-9-21)34-17-22-15-31-12-6-5-7-24(31)28-22/h5-15H,16-17H2,1-4H3,(H,29,32).

What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 472.61 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 55515621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).