5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C45H29N5O6 — CID 152997637

About 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 152997637) has the molecular formula C45H29N5O6 and a molecular weight of 735.76 g/mol. Its IUPAC name is 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 152997637
• Molecular Formula: C45H29N5O6
• Molecular Weight: 735.76 g/mol
• Exact Mass: 735.21
• IUPAC Name: 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(C2=Nc3ccc(-c4ccc5[nH]c(-c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6O)nc5c4)cc3C2)c(O)c1
• InChI: InChI=1S/C45H29N5O6/c1-22-3-9-31(39(51)15-22)37-20-27-16-23(6-13-35(27)46-37)26-7-14-36-38(19-26)48-41(47-36)32-12-8-28(21-40(32)52)50-44(55)30-11-5-25(18-34(30)45(50)56)24-4-10-29-33(17-24)43(54)49(2)42(29)53/h3-19,21,51-52H,20H2,1-2H3,(H,47,48)
• InChIKey: UXNQPIUKPFEGNZ-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 156.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.76
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 152997637) is 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is Cc1ccc(C2=Nc3ccc(-c4ccc5[nH]c(-c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc6O)nc5c4)cc3C2)c(O)c1.

What is the InChIKey of 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The InChIKey is UXNQPIUKPFEGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5O6/c1-22-3-9-31(39(51)15-22)37-20-27-16-23(6-13-35(27)46-37)26-7-14-36-38(19-26)48-41(47-36)32-12-8-28(21-40(32)52)50-44(55)30-11-5-25(18-34(30)45(50)56)24-4-10-29-33(17-24)43(54)49(2)42(29)53/h3-19,21,51-52H,20H2,1-2H3,(H,47,48).

What are the key properties of 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 735.76 g/mol, XLogP of 7.99, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-hydroxy-4-[5-[2-(2-hydroxy-4-methylphenyl)-3H-indol-5-yl]-1H-benzimidazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 152997637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).