tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate

C37H49ClN6O4Si — CID 123158901

About tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate

tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate (PubChem CID 123158901) has the molecular formula C37H49ClN6O4Si and a molecular weight of 705.38 g/mol. Its IUPAC name is tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
• PubChem CID: 123158901
• Molecular Formula: C37H49ClN6O4Si
• Molecular Weight: 705.38 g/mol
• Exact Mass: 704.33
• IUPAC Name: tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc(-c3ccc(C4=NC(C5C[Si](C)(C)CN5C(=O)OC(C)(C)C)NC4)cc3)cc2)c(Cl)[nH]1
• InChI: InChI=1S/C37H49ClN6O4Si/c1-36(2,3)47-34(45)43-19-9-10-28(43)33-41-30(31(38)42-33)26-17-13-24(14-18-26)23-11-15-25(16-12-23)27-20-39-32(40-27)29-21-49(7,8)22-44(29)35(46)48-37(4,5)6/h11-18,28-29,32,39H,9-10,19-22H2,1-8H3,(H,41,42)
• InChIKey: NOSHJDTURKHILQ-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 112.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.38
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?

The IUPAC name of tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate (CID 123158901) is tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?

The canonical SMILES for tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc(-c3ccc(C4=NC(C5C[Si](C)(C)CN5C(=O)OC(C)(C)C)NC4)cc3)cc2)c(Cl)[nH]1.

What is the InChIKey of tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?

The InChIKey is NOSHJDTURKHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49ClN6O4Si/c1-36(2,3)47-34(45)43-19-9-10-28(43)33-41-30(31(38)42-33)26-17-13-24(14-18-26)23-11-15-25(16-12-23)27-20-39-32(40-27)29-21-49(7,8)22-44(29)35(46)48-37(4,5)6/h11-18,28-29,32,39H,9-10,19-22H2,1-8H3,(H,41,42).

What are the key properties of tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?

tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate has a molecular weight of 705.38 g/mol, XLogP of 8.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[4-[4-[4-[5-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate is sourced from PubChem (CID 123158901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).