N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C22H18IN3O2 — CID 16621282

About N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 16621282) has the molecular formula C22H18IN3O2 and a molecular weight of 483.31 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 16621282
• Molecular Formula: C22H18IN3O2
• Molecular Weight: 483.31 g/mol
• Exact Mass: 483.04
• IUPAC Name: N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1cccn2cc(COc3cccc(C(=O)Nc4cccc(I)c4)c3)nc12
• InChI: InChI=1S/C22H18IN3O2/c1-15-5-4-10-26-13-19(24-21(15)26)14-28-20-9-2-6-16(11-20)22(27)25-18-8-3-7-17(23)12-18/h2-13H,14H2,1H3,(H,25,27)
• InChIKey: CBCBANIZSFLIRX-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.31
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 16621282) is N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3cccc(C(=O)Nc4cccc(I)c4)c3)nc12.

What is the InChIKey of N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is CBCBANIZSFLIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IN3O2/c1-15-5-4-10-26-13-19(24-21(15)26)14-28-20-9-2-6-16(11-20)22(27)25-18-8-3-7-17(23)12-18/h2-13H,14H2,1H3,(H,25,27).

What are the key properties of N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 483.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 16621282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).