N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide

C21H23Cl2N3O2 — CID 24945827

About N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide

N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (PubChem CID 24945827) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
• PubChem CID: 24945827
• Molecular Formula: C21H23Cl2N3O2
• Molecular Weight: 420.34 g/mol
• Exact Mass: 419.12
• IUPAC Name: N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
• SMILES: CCCCN(C)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C21H23Cl2N3O2/c1-4-5-10-25(2)19(27)12-18-20(14-6-8-16(28-3)9-7-14)24-21-17(23)11-15(22)13-26(18)21/h6-9,11,13H,4-5,10,12H2,1-3H3
• InChIKey: AGIAGHRFZKNHMN-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 46.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.34
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?

The IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (CID 24945827) is N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.

What is the SMILES notation for N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?

The canonical SMILES for N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is CCCCN(C)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12.

What is the InChIKey of N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?

The InChIKey is AGIAGHRFZKNHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-4-5-10-25(2)19(27)12-18-20(14-6-8-16(28-3)9-7-14)24-21-17(23)11-15(22)13-26(18)21/h6-9,11,13H,4-5,10,12H2,1-3H3.

What are the key properties of N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?

N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide has a molecular weight of 420.34 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is sourced from PubChem (CID 24945827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).