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

C29H30N6 — CID 123350976

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

3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (PubChem CID 123350976) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
• PubChem CID: 123350976
• Molecular Formula: C29H30N6
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.25
• IUPAC Name: 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
• SMILES: Cc1[nH]c(C2CC3CC3N2)nc1-c1ccc(-c2ccc(-c3cnc(C4CC5CC5N4)[nH]3)cc2)cc1
• InChI: InChI=1S/C29H30N6/c1-15-27(35-29(31-15)25-13-21-11-23(21)33-25)19-8-4-17(5-9-19)16-2-6-18(7-3-16)26-14-30-28(34-26)24-12-20-10-22(20)32-24/h2-9,14,20-25,32-33H,10-13H2,1H3,(H,30,34)(H,31,35)
• InChIKey: WMAAUCPXSRLRDY-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (CID 123350976) is 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.

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

The canonical SMILES for 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is Cc1[nH]c(C2CC3CC3N2)nc1-c1ccc(-c2ccc(-c3cnc(C4CC5CC5N4)[nH]3)cc2)cc1.

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

The InChIKey is WMAAUCPXSRLRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-15-27(35-29(31-15)25-13-21-11-23(21)33-25)19-8-4-17(5-9-19)16-2-6-18(7-3-16)26-14-30-28(34-26)24-12-20-10-22(20)32-24/h2-9,14,20-25,32-33H,10-13H2,1H3,(H,30,34)(H,31,35).

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

3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 462.60 g/mol, XLogP of 5.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 123350976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).