2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide

C14H8Br4N4OS — CID 1423262

About 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 1423262) has the molecular formula C14H8Br4N4OS and a molecular weight of 599.93 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
• PubChem CID: 1423262
• Molecular Formula: C14H8Br4N4OS
• Molecular Weight: 599.93 g/mol
• Exact Mass: 595.72
• IUPAC Name: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
• SMILES: O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1c(Br)cc(Br)cc1Br
• InChI: InChI=1S/C14H8Br4N4OS/c15-6-1-8(17)12(9(18)2-6)21-11(23)5-24-14-20-10-3-7(16)4-19-13(10)22-14/h1-4H,5H2,(H,21,23)(H,19,20,22)
• InChIKey: XHXNBQCNNGBELS-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.93
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?

The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide (CID 1423262) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide.

What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?

The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide is O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1c(Br)cc(Br)cc1Br.

What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?

The InChIKey is XHXNBQCNNGBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br4N4OS/c15-6-1-8(17)12(9(18)2-6)21-11(23)5-24-14-20-10-3-7(16)4-19-13(10)22-14/h1-4H,5H2,(H,21,23)(H,19,20,22).

What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 599.93 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 1423262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).