N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C22H20BrN3O2S — CID 42112796

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 42112796) has the molecular formula C22H20BrN3O2S and a molecular weight of 470.39 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 42112796
• Molecular Formula: C22H20BrN3O2S
• Molecular Weight: 470.39 g/mol
• Exact Mass: 469.05
• IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccc(Br)s4)cc3)cn2c1
• InChI: InChI=1S/C22H20BrN3O2S/c1-15-3-10-21-24-17(12-26(21)11-15)14-28-18-6-4-16(5-7-18)22(27)25(2)13-19-8-9-20(23)29-19/h3-12H,13-14H2,1-2H3
• InChIKey: XLXYENJZMSPRRH-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.39
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 42112796) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccc(Br)s4)cc3)cn2c1.

What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is XLXYENJZMSPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2S/c1-15-3-10-21-24-17(12-26(21)11-15)14-28-18-6-4-16(5-7-18)22(27)25(2)13-19-8-9-20(23)29-19/h3-12H,13-14H2,1-2H3.

What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 470.39 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 42112796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).