1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

C24H14ClN3O4S — CID 108588701

About 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 108588701) has the molecular formula C24H14ClN3O4S and a molecular weight of 475.91 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
• PubChem CID: 108588701
• Molecular Formula: C24H14ClN3O4S
• Molecular Weight: 475.91 g/mol
• Exact Mass: 475.04
• IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1cccs1)c1cc2cc(Cl)ccc2o1
• InChI: InChI=1S/C24H14ClN3O4S/c25-13-7-8-16-12(10-13)11-17(32-16)21(29)19-20(18-6-3-9-33-18)28(23(31)22(19)30)24-26-14-4-1-2-5-15(14)27-24/h1-11,20,30H,(H,26,27)
• InChIKey: GXEIVIPKBWCSLG-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 99.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.91
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (CID 108588701) is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)C1c1cccs1)c1cc2cc(Cl)ccc2o1.

What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The InChIKey is GXEIVIPKBWCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN3O4S/c25-13-7-8-16-12(10-13)11-17(32-16)21(29)19-20(18-6-3-9-33-18)28(23(31)22(19)30)24-26-14-4-1-2-5-15(14)27-24/h1-11,20,30H,(H,26,27).

What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 475.91 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108588701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).