3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane

C28H28N6 — CID 24899595

About 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane

3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (PubChem CID 24899595) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
• PubChem CID: 24899595
• Molecular Formula: C28H28N6
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.24
• IUPAC Name: 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
• SMILES: c1cc(-c2cnc(C3CC4CC4N3)[nH]2)ccc1-c1ccc(-c2cnc(C3CC4CC4N3)[nH]2)cc1
• InChI: InChI=1S/C28H28N6/c1-5-17(25-13-29-27(33-25)23-11-19-9-21(19)31-23)6-2-15(1)16-3-7-18(8-4-16)26-14-30-28(34-26)24-12-20-10-22(20)32-24/h1-8,13-14,19-24,31-32H,9-12H2,(H,29,33)(H,30,34)
• InChIKey: ZFKJUIDTKDJFFZ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?

The IUPAC name of 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (CID 24899595) is 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.

What is the SMILES notation for 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?

The canonical SMILES for 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is c1cc(-c2cnc(C3CC4CC4N3)[nH]2)ccc1-c1ccc(-c2cnc(C3CC4CC4N3)[nH]2)cc1.

What is the InChIKey of 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?

The InChIKey is ZFKJUIDTKDJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-5-17(25-13-29-27(33-25)23-11-19-9-21(19)31-23)6-2-15(1)16-3-7-18(8-4-16)26-14-30-28(34-26)24-12-20-10-22(20)32-24/h1-8,13-14,19-24,31-32H,9-12H2,(H,29,33)(H,30,34).

What are the key properties of 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?

3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 448.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 24899595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).