5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole

C27H17N9O2S — CID 141137028

About 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole

5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole (PubChem CID 141137028) has the molecular formula C27H17N9O2S and a molecular weight of 531.56 g/mol. Its IUPAC name is 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole.

Molecular Properties

• Compound Name: 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole
• PubChem CID: 141137028
• Molecular Formula: C27H17N9O2S
• Molecular Weight: 531.56 g/mol
• Exact Mass: 531.12
• IUPAC Name: 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole
• SMILES: c1c[nH]c(-c2c(-c3cccs3)c(-c3ccco3)c3oc(-c4nnn[nH]4)c(-c4ncc[nH]4)c3c2-c2cc[nH]n2)c1
• InChI: InChI=1S/C27H17N9O2S/c1-4-14(28-8-1)18-19(15-7-9-31-32-15)22-23(26-29-10-11-30-26)25(27-33-35-36-34-27)38-24(22)20(16-5-2-12-37-16)21(18)17-6-3-13-39-17/h1-13,28H,(H,29,30)(H,31,32)(H,33,34,35,36)
• InChIKey: OREDZOKOGSZHKZ-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 153.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.56
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole?

The IUPAC name of 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole (CID 141137028) is 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole.

What is the SMILES notation for 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole?

The canonical SMILES for 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole is c1c[nH]c(-c2c(-c3cccs3)c(-c3ccco3)c3oc(-c4nnn[nH]4)c(-c4ncc[nH]4)c3c2-c2cc[nH]n2)c1.

What is the InChIKey of 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole?

The InChIKey is OREDZOKOGSZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N9O2S/c1-4-14(28-8-1)18-19(15-7-9-31-32-15)22-23(26-29-10-11-30-26)25(27-33-35-36-34-27)38-24(22)20(16-5-2-12-37-16)21(18)17-6-3-13-39-17/h1-13,28H,(H,29,30)(H,31,32)(H,33,34,35,36).

What are the key properties of 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole?

5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole has a molecular weight of 531.56 g/mol, XLogP of 6.38, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1-benzofuran-2-yl]-1H-tetrazole is sourced from PubChem (CID 141137028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).