3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide

C27H27N3O4 — CID 60574905

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 60574905) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
• PubChem CID: 60574905
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(OCC2CCCO2)c1
• InChI: InChI=1S/C27H27N3O4/c1-19-10-11-24(25(14-19)34-18-23-8-5-13-32-23)29-27(31)20-6-4-7-22(15-20)33-17-21-16-30-12-3-2-9-26(30)28-21/h2-4,6-7,9-12,14-16,23H,5,8,13,17-18H2,1H3,(H,29,31)
• InChIKey: GEFZOGMUWWHPFG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?

The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 60574905) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide.

What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?

The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(OCC2CCCO2)c1.

What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?

The InChIKey is GEFZOGMUWWHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-19-10-11-24(25(14-19)34-18-23-8-5-13-32-23)29-27(31)20-6-4-7-22(15-20)33-17-21-16-30-12-3-2-9-26(30)28-21/h2-4,6-7,9-12,14-16,23H,5,8,13,17-18H2,1H3,(H,29,31).

What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 457.53 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 60574905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).