N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide

C25H21N3O4 — CID 55949341

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 55949341) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 55949341
• Molecular Formula: C25H21N3O4
• Molecular Weight: 427.46 g/mol
• Exact Mass: 427.15
• IUPAC Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
• SMILES: COc1ccc(NC(=O)c2cc3cc(C)ccc3o2)cc1OCc1cn2ccccc2n1
• InChI: InChI=1S/C25H21N3O4/c1-16-6-8-20-17(11-16)12-23(32-20)25(29)27-18-7-9-21(30-2)22(13-18)31-15-19-14-28-10-4-3-5-24(28)26-19/h3-14H,15H2,1-2H3,(H,27,29)
• InChIKey: VGRJHCZPFAOBSZ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 78.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.46
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide (CID 55949341) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(C)ccc3o2)cc1OCc1cn2ccccc2n1.

What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide?

The InChIKey is VGRJHCZPFAOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16-6-8-20-17(11-16)12-23(32-20)25(29)27-18-7-9-21(30-2)22(13-18)31-15-19-14-28-10-4-3-5-24(28)26-19/h3-14H,15H2,1-2H3,(H,27,29).

What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide?

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55949341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).