2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole

C45H36N4O2 — CID 71231270

About 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole

2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 71231270) has the molecular formula C45H36N4O2 and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

• Compound Name: 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole
• PubChem CID: 71231270
• Molecular Formula: C45H36N4O2
• Molecular Weight: 664.81 g/mol
• Exact Mass: 664.28
• IUPAC Name: 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole
• SMILES: c1ccc(-c2nc(-c3ccccc3OCCCOc3ccccc3-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1
• InChI: InChI=1S/C45H36N4O2/c1-5-18-32(19-6-1)40-41(33-20-7-2-8-21-33)47-44(46-40)36-26-13-15-28-38(36)50-30-17-31-51-39-29-16-14-27-37(39)45-48-42(34-22-9-3-10-23-34)43(49-45)35-24-11-4-12-25-35/h1-16,18-29H,17,30-31H2,(H,46,47)(H,48,49)
• InChIKey: NDWLDGRUYJKJTJ-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 75.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.81
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole?

The IUPAC name of 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole (CID 71231270) is 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole.

What is the SMILES notation for 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole?

The canonical SMILES for 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(-c3ccccc3OCCCOc3ccccc3-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1.

What is the InChIKey of 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole?

The InChIKey is NDWLDGRUYJKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O2/c1-5-18-32(19-6-1)40-41(33-20-7-2-8-21-33)47-44(46-40)36-26-13-15-28-38(36)50-30-17-31-51-39-29-16-14-27-37(39)45-48-42(34-22-9-3-10-23-34)43(49-45)35-24-11-4-12-25-35/h1-16,18-29H,17,30-31H2,(H,46,47)(H,48,49).

What are the key properties of 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole?

2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 664.81 g/mol, XLogP of 10.98, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 71231270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).