2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

C26H26N4O2S — CID 39674127

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 39674127) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
• PubChem CID: 39674127
• Molecular Formula: C26H26N4O2S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
• SMILES: CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1
• InChI: InChI=1S/C26H26N4O2S/c1-18(2)27-25(31)15-19-10-12-20(13-11-19)29-26(32)22-7-3-4-8-23(22)33-17-21-16-30-14-6-5-9-24(30)28-21/h3-14,16,18H,15,17H2,1-2H3,(H,27,31)(H,29,32)
• InChIKey: MTADGFWJDCIEPE-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 39674127) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

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

The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1.

What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?

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

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

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 458.59 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 39674127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).