2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole

C38H30N4O2 — CID 118411404

About 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole

2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 118411404) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

• Compound Name: 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
• PubChem CID: 118411404
• Molecular Formula: C38H30N4O2
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.24
• IUPAC Name: 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
• SMILES: COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC
• InChI: InChI=1S/C38H30N4O2/c1-43-31-23-29(37-39-33(25-15-7-3-8-16-25)34(40-37)26-17-9-4-10-18-26)30(24-32(31)44-2)38-41-35(27-19-11-5-12-20-27)36(42-38)28-21-13-6-14-22-28/h3-24H,1-2H3,(H,39,40)(H,41,42)
• InChIKey: MYJHHYFLFUYOGL-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 75.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole?

The IUPAC name of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole (CID 118411404) is 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole.

What is the SMILES notation for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole?

The canonical SMILES for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC.

What is the InChIKey of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole?

The InChIKey is MYJHHYFLFUYOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-43-31-23-29(37-39-33(25-15-7-3-8-16-25)34(40-37)26-17-9-4-10-18-26)30(24-32(31)44-2)38-41-35(27-19-11-5-12-20-27)36(42-38)28-21-13-6-14-22-28/h3-24H,1-2H3,(H,39,40)(H,41,42).

What are the key properties of 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole?

2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 574.68 g/mol, XLogP of 9.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 118411404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).