3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

C21H15Cl2N3O2 — CID 42693942

About 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42693942) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 42693942
• Molecular Formula: C21H15Cl2N3O2
• Molecular Weight: 412.28 g/mol
• Exact Mass: 411.05
• IUPAC Name: 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C21H15Cl2N3O2/c1-28-17-7-5-13(6-8-17)19-20(26-9-3-2-4-18(26)24-19)25-21(27)14-10-15(22)12-16(23)11-14/h2-12H,1H3,(H,25,27)
• InChIKey: VMKZTFIZMAPRIJ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.28
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42693942) is 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1.

What is the InChIKey of 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is VMKZTFIZMAPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-28-17-7-5-13(6-8-17)19-20(26-9-3-2-4-18(26)24-19)25-21(27)14-10-15(22)12-16(23)11-14/h2-12H,1H3,(H,25,27).

What are the key properties of 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?

3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 412.28 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42693942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).