4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

C26H26N4O2S — CID 33037219

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (PubChem CID 33037219) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
• PubChem CID: 33037219
• Molecular Formula: C26H26N4O2S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
• SMILES: CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1
• InChI: InChI=1S/C26H26N4O2S/c1-18(2)15-25(31)28-20-8-10-21(11-9-20)29-26(32)19-6-12-23(13-7-19)33-17-22-16-30-14-4-3-5-24(30)27-22/h3-14,16,18H,15,17H2,1-2H3,(H,28,31)(H,29,32)
• InChIKey: GOKVXFQHVMVUKK-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?

The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide (CID 33037219) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide.

What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?

The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1.

What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?

The InChIKey is GOKVXFQHVMVUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(2)15-25(31)28-20-8-10-21(11-9-20)29-26(32)19-6-12-23(13-7-19)33-17-22-16-30-14-4-3-5-24(30)27-22/h3-14,16,18H,15,17H2,1-2H3,(H,28,31)(H,29,32).

What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide?

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide has a molecular weight of 458.59 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 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-[4-(3-methylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 33037219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).