2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

C24H16N4O3S2 — CID 121333746

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 121333746) has the molecular formula C24H16N4O3S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 121333746
• Molecular Formula: C24H16N4O3S2
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.07
• IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1)c1csc(-c2ccc3c(c2)CCO3)n1
• InChI: InChI=1S/C24H16N4O3S2/c29-21(20-2-1-9-32-20)14-3-5-16-17(11-14)27-24(26-16)28-22(30)18-12-33-23(25-18)15-4-6-19-13(10-15)7-8-31-19/h1-6,9-12H,7-8H2,(H2,26,27,28,30)
• InChIKey: LNHYZWAGAYZEGY-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 121333746) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1)c1csc(-c2ccc3c(c2)CCO3)n1.

What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is LNHYZWAGAYZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3S2/c29-21(20-2-1-9-32-20)14-3-5-16-17(11-14)27-24(26-16)28-22(30)18-12-33-23(25-18)15-4-6-19-13(10-15)7-8-31-19/h1-6,9-12H,7-8H2,(H2,26,27,28,30).

What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121333746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).