8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol

C28H28N6O4S — CID 143717161

About 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol

8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol (PubChem CID 143717161) has the molecular formula C28H28N6O4S and a molecular weight of 544.64 g/mol. Its IUPAC name is 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

• Compound Name: 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol
• PubChem CID: 143717161
• Molecular Formula: C28H28N6O4S
• Molecular Weight: 544.64 g/mol
• Exact Mass: 544.19
• IUPAC Name: 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol
• SMILES: NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4c(c3)OCC4)cccn12.OCCCc1cnc[nH]1
• InChI: InChI=1S/C22H18N4O3S.C6H10N2O/c23-20(27)19-18(15-6-9-30-12-15)25-21-16(2-1-7-26(19)21)22(28)24-11-13-3-4-14-5-8-29-17(14)10-13;9-3-1-2-6-4-7-5-8-6/h1-4,6-7,9-10,12H,5,8,11H2,(H2,23,27)(H,24,28);4-5,9H,1-3H2,(H,7,8)
• InChIKey: XYDXQJNZMWXKLC-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 147.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.64
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol?

The IUPAC name of 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol (CID 143717161) is 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol.

What is the SMILES notation for 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol?

The canonical SMILES for 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol is NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4c(c3)OCC4)cccn12.OCCCc1cnc[nH]1.

What is the InChIKey of 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol?

The InChIKey is XYDXQJNZMWXKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S.C6H10N2O/c23-20(27)19-18(15-6-9-30-12-15)25-21-16(2-1-7-26(19)21)22(28)24-11-13-3-4-14-5-8-29-17(14)10-13;9-3-1-2-6-4-7-5-8-6/h1-4,6-7,9-10,12H,5,8,11H2,(H2,23,27)(H,24,28);4-5,9H,1-3H2,(H,7,8).

What are the key properties of 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol?

8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol has a molecular weight of 544.64 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-(1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 143717161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).