1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone

C118H154Cl6N12O11Si3 — CID 158708107

About 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone

1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone (PubChem CID 158708107) has the molecular formula C118H154Cl6N12O11Si3 and a molecular weight of 2213.58 g/mol. Its IUPAC name is 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone
• PubChem CID: 158708107
• Molecular Formula: C118H154Cl6N12O11Si3
• Molecular Weight: 2213.58 g/mol
• Exact Mass: 2208.93
• IUPAC Name: 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone
• SMILES: CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CCC[Si](C)(C)O)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CC[Si](C)(C)O)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC[Si](C)(C)O)CC1
• InChI: InChI=1S/C40H52Cl2N4O4Si.C39H50Cl2N4O4Si.C39H52Cl2N4O3Si/c1-9-50-34-27-30(38(2,3)4)16-21-33(34)36-43-39(5,28-12-17-31(41)18-13-28)40(6,29-14-19-32(42)20-15-29)46(36)37(48)45-24-22-44(23-25-45)35(47)11-10-26-51(7,8)49;1-9-49-33-26-29(37(2,3)4)14-19-32(33)35-42-38(5,27-10-15-30(40)16-11-27)39(6,28-12-17-31(41)18-13-28)45(35)36(47)44-23-21-43(22-24-44)34(46)20-25-50(7,8)48;1-9-48-34-27-30(37(2,3)4)15-20-33(34)35-42-38(5,28-11-16-31(40)17-12-28)39(6,29-13-18-32(41)19-14-29)45(35)36(46)44-24-22-43(23-25-44)21-10-26-49(7,8)47/h12-21,27,49H,9-11,22-26H2,1-8H3;10-19,26,48H,9,20-25H2,1-8H3;11-20,27,47H,9-10,21-26H2,1-8H3/t39-,40+;2*38-,39+/m000/s1
• InChIKey: IIJKKDIVEFQBBS-IRUJMEKHSA-N
• XLogP: 26.17
• TPSA: 239.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.58
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone?

The IUPAC name of 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone (CID 158708107) is 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone.

What is the SMILES notation for 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone?

The canonical SMILES for 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone is CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CCC[Si](C)(C)O)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CC[Si](C)(C)O)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC[Si](C)(C)O)CC1.

What is the InChIKey of 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone?

The InChIKey is IIJKKDIVEFQBBS-IRUJMEKHSA-N. The full InChI is InChI=1S/C40H52Cl2N4O4Si.C39H50Cl2N4O4Si.C39H52Cl2N4O3Si/c1-9-50-34-27-30(38(2,3)4)16-21-33(34)36-43-39(5,28-12-17-31(41)18-13-28)40(6,29-14-19-32(42)20-15-29)46(36)37(48)45-24-22-44(23-25-45)35(47)11-10-26-51(7,8)49;1-9-49-33-26-29(37(2,3)4)14-19-32(33)35-42-38(5,27-10-15-30(40)16-11-27)39(6,28-12-17-31(41)18-13-28)45(35)36(47)44-23-21-43(22-24-44)34(46)20-25-50(7,8)48;1-9-48-34-27-30(37(2,3)4)15-20-33(34)35-42-38(5,28-11-16-31(40)17-12-28)39(6,29-13-18-32(41)19-14-29)45(35)36(46)44-24-22-43(23-25-44)21-10-26-49(7,8)47/h12-21,27,49H,9-11,22-26H2,1-8H3;10-19,26,48H,9,20-25H2,1-8H3;11-20,27,47H,9-10,21-26H2,1-8H3/t39-,40+;2*38-,39+/m000/s1.

What are the key properties of 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone?

1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone has a molecular weight of 2213.58 g/mol, XLogP of 26.17, 26 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-[hydroxy(dimethyl)silyl]butan-1-one;1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-3-[hydroxy(dimethyl)silyl]propan-1-one;[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-[3-[hydroxy(dimethyl)silyl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158708107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).