5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine

C29H32Cl2N6Si — CID 123475485

About 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine

5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine (PubChem CID 123475485) has the molecular formula C29H32Cl2N6Si and a molecular weight of 563.61 g/mol. Its IUPAC name is 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine.

Molecular Properties

• Compound Name: 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine
• PubChem CID: 123475485
• Molecular Formula: C29H32Cl2N6Si
• Molecular Weight: 563.61 g/mol
• Exact Mass: 562.18
• IUPAC Name: 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine
• SMILES: C[Si]1(C)CNC(c2nc(-c3ccc(-c4ccc(-c5nc(C6CC7CCC7N6)[nH]c5Cl)cc4)cc3)c(Cl)[nH]2)C1
• InChI: InChI=1S/C29H32Cl2N6Si/c1-38(2)14-23(32-15-38)29-35-25(27(31)37-29)19-9-5-17(6-10-19)16-3-7-18(8-4-16)24-26(30)36-28(34-24)22-13-20-11-12-21(20)33-22/h3-10,20-23,32-33H,11-15H2,1-2H3,(H,34,36)(H,35,37)
• InChIKey: RRBMBRNXVWOEQF-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 81.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine?

The IUPAC name of 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine (CID 123475485) is 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine.

What is the SMILES notation for 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine?

The canonical SMILES for 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine is C[Si]1(C)CNC(c2nc(-c3ccc(-c4ccc(-c5nc(C6CC7CCC7N6)[nH]c5Cl)cc4)cc3)c(Cl)[nH]2)C1.

What is the InChIKey of 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine?

The InChIKey is RRBMBRNXVWOEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N6Si/c1-38(2)14-23(32-15-38)29-35-25(27(31)37-29)19-9-5-17(6-10-19)16-3-7-18(8-4-16)24-26(30)36-28(34-24)22-13-20-11-12-21(20)33-22/h3-10,20-23,32-33H,11-15H2,1-2H3,(H,34,36)(H,35,37).

What are the key properties of 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine?

5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine has a molecular weight of 563.61 g/mol, XLogP of 7.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine is sourced from PubChem (CID 123475485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).