2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol

C32H24N6O2 — CID 139082090

About 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol

2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol (PubChem CID 139082090) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol.

Molecular Properties

• Compound Name: 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol
• PubChem CID: 139082090
• Molecular Formula: C32H24N6O2
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.20
• IUPAC Name: 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol
• SMILES: Nc1ccc(-n2c(-c3ccccc3O)nc3cc4c(cc32)nc(-c2ccccc2O)n4-c2ccc(N)cc2)cc1
• InChI: InChI=1S/C32H24N6O2/c33-19-9-13-21(14-10-19)37-27-18-26-28(17-25(27)35-31(37)23-5-1-3-7-29(23)39)38(22-15-11-20(34)12-16-22)32(36-26)24-6-2-4-8-30(24)40/h1-18,39-40H,33-34H2
• InChIKey: UGQLHLMDNPHZRC-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 128.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol?

The IUPAC name of 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol (CID 139082090) is 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol.

What is the SMILES notation for 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol?

The canonical SMILES for 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol is Nc1ccc(-n2c(-c3ccccc3O)nc3cc4c(cc32)nc(-c2ccccc2O)n4-c2ccc(N)cc2)cc1.

What is the InChIKey of 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol?

The InChIKey is UGQLHLMDNPHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O2/c33-19-9-13-21(14-10-19)37-27-18-26-28(17-25(27)35-31(37)23-5-1-3-7-29(23)39)38(22-15-11-20(34)12-16-22)32(36-26)24-6-2-4-8-30(24)40/h1-18,39-40H,33-34H2.

What are the key properties of 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol?

2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol has a molecular weight of 524.58 g/mol, XLogP of 6.27, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,7-bis(4-aminophenyl)-2-(2-hydroxyphenyl)imidazo[4,5-f]benzimidazol-6-yl]phenol is sourced from PubChem (CID 139082090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).