(2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone

C52H60Cl2N8O2Si — CID 89467292

About (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone

(2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone (PubChem CID 89467292) has the molecular formula C52H60Cl2N8O2Si and a molecular weight of 928.10 g/mol. Its IUPAC name is (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone.

Molecular Properties

• Compound Name: (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone
• PubChem CID: 89467292
• Molecular Formula: C52H60Cl2N8O2Si
• Molecular Weight: 928.10 g/mol
• Exact Mass: 926.40
• IUPAC Name: (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone
• SMILES: CCN(CC)[C@@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](c5ccccc5)N(CC)CC)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)c1ccccc1
• InChI: InChI=1S/C52H60Cl2N8O2Si/c1-7-59(8-2)45(37-17-13-11-14-18-37)51(63)61-32-65(5,6)31-42(61)50-56-44(48(54)58-50)36-27-23-34(24-28-36)33-21-25-35(26-22-33)43-47(53)57-49(55-43)41-30-39-29-40(39)62(41)52(64)46(60(9-3)10-4)38-19-15-12-16-20-38/h11-28,39-42,45-46H,7-10,29-32H2,1-6H3,(H,55,57)(H,56,58)/t39-,40-,41+,42+,45-,46-/m1/s1
• InChIKey: NCTBYOUBCVOSAB-OTGRYSAASA-N
• XLogP: 11.40
• TPSA: 104.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.10
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone?

The IUPAC name of (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone (CID 89467292) is (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone.

What is the SMILES notation for (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone?

The canonical SMILES for (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone is CCN(CC)[C@@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](c5ccccc5)N(CC)CC)[nH]c4Cl)cc3)cc2)c(Cl)[nH]1)c1ccccc1.

What is the InChIKey of (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone?

The InChIKey is NCTBYOUBCVOSAB-OTGRYSAASA-N. The full InChI is InChI=1S/C52H60Cl2N8O2Si/c1-7-59(8-2)45(37-17-13-11-14-18-37)51(63)61-32-65(5,6)31-42(61)50-56-44(48(54)58-50)36-27-23-34(24-28-36)33-21-25-35(26-22-33)43-47(53)57-49(55-43)41-30-39-29-40(39)62(41)52(64)46(60(9-3)10-4)38-19-15-12-16-20-38/h11-28,39-42,45-46H,7-10,29-32H2,1-6H3,(H,55,57)(H,56,58)/t39-,40-,41+,42+,45-,46-/m1/s1.

What are the key properties of (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone?

(2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone has a molecular weight of 928.10 g/mol, XLogP of 11.40, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(5R)-5-[5-chloro-4-[4-[4-[5-chloro-2-[(1R,3S,5R)-2-[(2R)-2-(diethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-2-(diethylamino)-2-phenylethanone is sourced from PubChem (CID 89467292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).