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

C30H34N6 — CID 77466281

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

3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 77466281) has the molecular formula C30H34N6 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane
• PubChem CID: 77466281
• Molecular Formula: C30H34N6
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.28
• IUPAC Name: 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane
• SMILES: CC1CC(c2ncc(-c3ccc(-c4ccc(-c5cnc(C6CC7(C)CC7N6)[nH]5)cc4)cc3)[nH]2)NC1C
• InChI: InChI=1S/C30H34N6/c1-17-12-23(33-18(17)2)28-31-15-25(35-28)21-8-4-19(5-9-21)20-6-10-22(11-7-20)26-16-32-29(36-26)24-13-30(3)14-27(30)34-24/h4-11,15-18,23-24,27,33-34H,12-14H2,1-3H3,(H,31,35)(H,32,36)
• InChIKey: UKNBAZBOQIYFQB-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane (CID 77466281) is 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane.

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

The canonical SMILES for 3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane is CC1CC(c2ncc(-c3ccc(-c4ccc(-c5cnc(C6CC7(C)CC7N6)[nH]5)cc4)cc3)[nH]2)NC1C.

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

The InChIKey is UKNBAZBOQIYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6/c1-17-12-23(33-18(17)2)28-31-15-25(35-28)21-8-4-19(5-9-21)20-6-10-22(11-7-20)26-16-32-29(36-26)24-13-30(3)14-27(30)34-24/h4-11,15-18,23-24,27,33-34H,12-14H2,1-3H3,(H,31,35)(H,32,36).

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

3-[5-[4-[4-[2-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 478.64 g/mol, XLogP of 6.01, 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-(4,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 77466281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).