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

C26H23N3O5 — CID 55949079

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

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55949079) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 55949079
• Molecular Formula: C26H23N3O5
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.16
• IUPAC Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• SMILES: COCc1c(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)oc2ccccc12
• InChI: InChI=1S/C26H23N3O5/c1-31-16-20-19-7-3-4-8-21(19)34-25(20)26(30)28-17-10-11-22(32-2)23(13-17)33-15-18-14-29-12-6-5-9-24(29)27-18/h3-14H,15-16H2,1-2H3,(H,28,30)
• InChIKey: BMDONWRKSMUHCU-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 87.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 55949079) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)oc2ccccc12.

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

The InChIKey is BMDONWRKSMUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-31-16-20-19-7-3-4-8-21(19)34-25(20)26(30)28-17-10-11-22(32-2)23(13-17)33-15-18-14-29-12-6-5-9-24(29)27-18/h3-14H,15-16H2,1-2H3,(H,28,30).

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

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55949079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).