4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline

C27H21N7O2 — CID 102466776

About 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline

4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline (PubChem CID 102466776) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline.

Molecular Properties

• Compound Name: 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline
• PubChem CID: 102466776
• Molecular Formula: C27H21N7O2
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.18
• IUPAC Name: 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline
• SMILES: Nc1ccc(-c2nc(-c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)[nH]c2-c2ccc(N)cc2)cc1
• InChI: InChI=1S/C27H21N7O2/c28-20-7-1-17(2-8-20)25-26(18-3-9-21(29)10-4-18)31-27(30-25)19-5-11-22(12-6-19)32-33-23-13-15-24(16-14-23)34(35)36/h1-16H,28-29H2,(H,30,31)/b33-32+
• InChIKey: UDQYWSKCYSZLMG-ULIFNZDWSA-N
• XLogP: 6.90
• TPSA: 148.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline?

The IUPAC name of 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline (CID 102466776) is 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline.

What is the SMILES notation for 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline?

The canonical SMILES for 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline is Nc1ccc(-c2nc(-c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)[nH]c2-c2ccc(N)cc2)cc1.

What is the InChIKey of 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline?

The InChIKey is UDQYWSKCYSZLMG-ULIFNZDWSA-N. The full InChI is InChI=1S/C27H21N7O2/c28-20-7-1-17(2-8-20)25-26(18-3-9-21(29)10-4-18)31-27(30-25)19-5-11-22(12-6-19)32-33-23-13-15-24(16-14-23)34(35)36/h1-16H,28-29H2,(H,30,31)/b33-32+.

What are the key properties of 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline?

4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline has a molecular weight of 475.51 g/mol, XLogP of 6.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline is sourced from PubChem (CID 102466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).