2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C22H18BrN3O — CID 121055758

About 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 121055758) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 121055758
• Molecular Formula: C22H18BrN3O
• Molecular Weight: 420.31 g/mol
• Exact Mass: 419.06
• IUPAC Name: 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• SMILES: Cc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1ccccc1Br
• InChI: InChI=1S/C22H18BrN3O/c1-14-9-10-16(20-13-26-11-5-6-15(2)21(26)24-20)12-19(14)25-22(27)17-7-3-4-8-18(17)23/h3-13H,1-2H3,(H,25,27)
• InChIKey: ZVLZUYPDNPJTBQ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.31
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The IUPAC name of 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 121055758) is 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

What is the SMILES notation for 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The canonical SMILES for 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is Cc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1ccccc1Br.

What is the InChIKey of 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The InChIKey is ZVLZUYPDNPJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c1-14-9-10-16(20-13-26-11-5-6-15(2)21(26)24-20)12-19(14)25-22(27)17-7-3-4-8-18(17)23/h3-13H,1-2H3,(H,25,27).

What are the key properties of 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 420.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 121055758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).