2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one

C128H149BBrF3N12O9Si2 — CID 158614915

About 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one (PubChem CID 158614915) has the molecular formula C128H149BBrF3N12O9Si2 and a molecular weight of 2203.56 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one.

Molecular Properties

• Compound Name: 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one
• PubChem CID: 158614915
• Molecular Formula: C128H149BBrF3N12O9Si2
• Molecular Weight: 2203.56 g/mol
• Exact Mass: 2201.03
• IUPAC Name: 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one
• SMILES: CC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(-c3ccc(-c4ncc(-c5ccccc5)[nH]4)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.O=C(O)CC1CCC(c2ccc(-c3ccc(-c4ncc(-c5ccccc5)[nH]4)cn3)cc2)CC1
• InChI: InChI=1S/C35H43N3O2Si.C29H29N3O.C28H27N3O2.C21H31BO3.C15H19BrF3N3OSi/c1-26(39)22-27-10-12-28(13-11-27)29-14-16-31(17-15-29)33-19-18-32(23-36-33)35-37-34(30-8-6-5-7-9-30)24-38(35)25-40-20-21-41(2,3)4;1-20(33)17-21-7-9-22(10-8-21)23-11-13-25(14-12-23)27-16-15-26(18-30-27)29-31-19-28(32-29)24-5-3-2-4-6-24;32-27(33)16-19-6-8-20(9-7-19)21-10-12-23(13-11-21)25-15-14-24(17-29-25)28-30-18-26(31-28)22-4-2-1-3-5-22;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h5-9,14-19,23-24,27-28H,10-13,20-22,25H2,1-4H3;2-6,11-16,18-19,21-22H,7-10,17H2,1H3,(H,31,32);1-5,10-15,17-20H,6-9,16H2,(H,30,31)(H,32,33);10-13,16-17H,6-9,14H2,1-5H3;4-5,8-9H,6-7,10H2,1-3H3
• InChIKey: HXGUGYIIDIXOGK-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 269.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2203.56
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one?

The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one (CID 158614915) is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one.

What is the SMILES notation for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one?

The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one is CC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(-c5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(-c3ccc(-c4ncc(-c5ccccc5)[nH]4)cn3)cc2)CC1.CC(=O)CC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.O=C(O)CC1CCC(c2ccc(-c3ccc(-c4ncc(-c5ccccc5)[nH]4)cn3)cc2)CC1.

What is the InChIKey of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one?

The InChIKey is HXGUGYIIDIXOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O2Si.C29H29N3O.C28H27N3O2.C21H31BO3.C15H19BrF3N3OSi/c1-26(39)22-27-10-12-28(13-11-27)29-14-16-31(17-15-29)33-19-18-32(23-36-33)35-37-34(30-8-6-5-7-9-30)24-38(35)25-40-20-21-41(2,3)4;1-20(33)17-21-7-9-22(10-8-21)23-11-13-25(14-12-23)27-16-15-26(18-30-27)29-31-19-28(32-29)24-5-3-2-4-6-24;32-27(33)16-19-6-8-20(9-7-19)21-10-12-23(13-11-21)25-15-14-24(17-29-25)28-30-18-26(31-28)22-4-2-1-3-5-22;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h5-9,14-19,23-24,27-28H,10-13,20-22,25H2,1-4H3;2-6,11-16,18-19,21-22H,7-10,17H2,1H3,(H,31,32);1-5,10-15,17-20H,6-9,16H2,(H,30,31)(H,32,33);10-13,16-17H,6-9,14H2,1-5H3;4-5,8-9H,6-7,10H2,1-3H3.

What are the key properties of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one?

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one has a molecular weight of 2203.56 g/mol, XLogP of 31.73, 33 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid;1-[4-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-[5-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]propan-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]propan-2-one is sourced from PubChem (CID 158614915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).