2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate

C117H146F3N19O14Si3 — CID 176545327

About 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate

2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate (PubChem CID 176545327) has the molecular formula C117H146F3N19O14Si3 and a molecular weight of 2183.83 g/mol. Its IUPAC name is 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate.

Molecular Properties

• Compound Name: 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate
• PubChem CID: 176545327
• Molecular Formula: C117H146F3N19O14Si3
• Molecular Weight: 2183.83 g/mol
• Exact Mass: 2182.06
• IUPAC Name: 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate
• SMILES: CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)OC(C)(C)C)[nH]c4F)cc3)cc2)[nH]1.COC(=O)NCC(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4F)cc3)cc2)[nH]1)C(C)C.C[Si]1(C)CC[C@H](c2ncc(-c3ccc(-c4ccc(-c5nc(C6C[C@@H]7C[C@@H]7C6)[nH]c5F)cc4)cc3)[nH]2)C1.O=C=O
• InChI: InChI=1S/C42H53FN8O6Si.C38H47FN6O4Si.C30H33FN4Si.C6H13NO2.CO2/c1-22(2)33(47-41(54)56-5)39(52)50-21-58(7,8)20-32(50)37-44-19-29(45-37)26-13-9-24(10-14-26)25-11-15-27(16-12-25)35-36(43)49-38(46-35)31-18-28-17-30(28)51(31)40(53)34(23(3)4)48-42(55)57-6;1-37(2,3)48-35(46)44-21-50(7,8)20-30(44)33-40-19-27(41-33)24-13-9-22(10-14-24)23-11-15-25(16-12-23)31-32(39)43-34(42-31)29-18-26-17-28(26)45(29)36(47)49-38(4,5)6;1-36(2)12-11-22(17-36)29-32-16-26(33-29)20-7-3-18(4-8-20)19-5-9-21(10-6-19)27-28(31)35-30(34-27)25-14-23-13-24(23)15-25;1-5(2)4-7-6(8)9-3;2-1-3/h9-16,19,22-23,28,30-34H,17-18,20-21H2,1-8H3,(H,44,45)(H,46,49)(H,47,54)(H,48,55);9-16,19,26,28-30H,17-18,20-21H2,1-8H3,(H,40,41)(H,42,43);3-10,16,22-25H,11-15,17H2,1-2H3,(H,32,33)(H,34,35);5H,4H2,1-3H3,(H,7,8);/t28-,30-,31+,32+,33+,34+;26-,28-,29+,30+;22-,23-,24+,25?;;/m110../s1
• InChIKey: GXCYBKLMHRYOMG-IENSQVFUSA-N
• XLogP: 24.11
• TPSA: 420.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.83
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate?

The IUPAC name of 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate (CID 176545327) is 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate.

What is the SMILES notation for 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate?

The canonical SMILES for 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate is CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)OC(C)(C)C)[nH]c4F)cc3)cc2)[nH]1.COC(=O)NCC(C)C.COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4F)cc3)cc2)[nH]1)C(C)C.C[Si]1(C)CC[C@H](c2ncc(-c3ccc(-c4ccc(-c5nc(C6C[C@@H]7C[C@@H]7C6)[nH]c5F)cc4)cc3)[nH]2)C1.O=C=O.

What is the InChIKey of 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate?

The InChIKey is GXCYBKLMHRYOMG-IENSQVFUSA-N. The full InChI is InChI=1S/C42H53FN8O6Si.C38H47FN6O4Si.C30H33FN4Si.C6H13NO2.CO2/c1-22(2)33(47-41(54)56-5)39(52)50-21-58(7,8)20-32(50)37-44-19-29(45-37)26-13-9-24(10-14-26)25-11-15-27(16-12-25)35-36(43)49-38(46-35)31-18-28-17-30(28)51(31)40(53)34(23(3)4)48-42(55)57-6;1-37(2,3)48-35(46)44-21-50(7,8)20-30(44)33-40-19-27(41-33)24-13-9-22(10-14-24)23-11-15-25(16-12-23)31-32(39)43-34(42-31)29-18-26-17-28(26)45(29)36(47)49-38(4,5)6;1-36(2)12-11-22(17-36)29-32-16-26(33-29)20-7-3-18(4-8-20)19-5-9-21(10-6-19)27-28(31)35-30(34-27)25-14-23-13-24(23)15-25;1-5(2)4-7-6(8)9-3;2-1-3/h9-16,19,22-23,28,30-34H,17-18,20-21H2,1-8H3,(H,44,45)(H,46,49)(H,47,54)(H,48,55);9-16,19,26,28-30H,17-18,20-21H2,1-8H3,(H,40,41)(H,42,43);3-10,16,22-25H,11-15,17H2,1-2H3,(H,32,33)(H,34,35);5H,4H2,1-3H3,(H,7,8);/t28-,30-,31+,32+,33+,34+;26-,28-,29+,30+;22-,23-,24+,25?;;/m110../s1.

What are the key properties of 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate?

2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate has a molecular weight of 2183.83 g/mol, XLogP of 24.11, 23 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[4-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-fluoro-1H-imidazole;tert-butyl (5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine-1-carboxylate;carbon dioxide;methyl N-[(2S)-1-[(5R)-5-[5-[4-[4-[5-fluoro-2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-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]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 176545327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).