2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole

C32H22N8OS2 — CID 141125614

About 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole

2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole (PubChem CID 141125614) has the molecular formula C32H22N8OS2 and a molecular weight of 598.72 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole
• PubChem CID: 141125614
• Molecular Formula: C32H22N8OS2
• Molecular Weight: 598.72 g/mol
• Exact Mass: 598.14
• IUPAC Name: 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole
• SMILES: c1c[nH]c(N2Nc3c(-c4cc5ccccc5[nH]4)c(-c4cccs4)c(-c4ccco4)c(-c4nccs4)c3N2c2ncc[nH]2)c1
• InChI: InChI=1S/C32H22N8OS2/c1-2-7-20-19(6-1)18-21(37-20)25-27(23-9-5-16-42-23)26(22-8-4-15-41-22)28(31-34-14-17-43-31)30-29(25)38-40(24-10-3-11-33-24)39(30)32-35-12-13-36-32/h1-18,33,37-38H,(H,35,36)
• InChIKey: ZVDHANQJBOGDGC-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 104.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.72
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole?

The IUPAC name of 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole (CID 141125614) is 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole.

What is the SMILES notation for 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole?

The canonical SMILES for 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole is c1c[nH]c(N2Nc3c(-c4cc5ccccc5[nH]4)c(-c4cccs4)c(-c4ccco4)c(-c4nccs4)c3N2c2ncc[nH]2)c1.

What is the InChIKey of 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole?

The InChIKey is ZVDHANQJBOGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N8OS2/c1-2-7-20-19(6-1)18-21(37-20)25-27(23-9-5-16-42-23)26(22-8-4-15-41-22)28(31-34-14-17-43-31)30-29(25)38-40(24-10-3-11-33-24)39(30)32-35-12-13-36-32/h1-18,33,37-38H,(H,35,36).

What are the key properties of 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole?

2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole has a molecular weight of 598.72 g/mol, XLogP of 8.90, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-7-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-benzotriazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141125614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).