tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane

C134H211AlB3Br2ClN20O23Si4 — CID 158460627

About tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane

tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane (PubChem CID 158460627) has the molecular formula C134H211AlB3Br2ClN20O23Si4 and a molecular weight of 2837.30 g/mol. Its IUPAC name is tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane.

Molecular Properties

• Compound Name: tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane
• PubChem CID: 158460627
• Molecular Formula: C134H211AlB3Br2ClN20O23Si4
• Molecular Weight: 2837.30 g/mol
• Exact Mass: 2833.32
• IUPAC Name: tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(-c4cc(Cl)c5cnccc5n4)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(Br)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)c1nc2cc(Br)ccc2n1COCC[Si](C)(C)C.C[Al](C)C.Nc1ccc(CN2CCCC2)cc1
• InChI: InChI=1S/C31H39ClN6O4Si.C29H47BN4O6Si.C23H35BrN4O4Si.C16H23BrN2O3Si.C12H24B2O4.C11H16N2.C9H18N2O2.3CH3.Al/c1-31(2,3)42-30(40)37-13-11-36(12-14-37)29(39)28-35-26-17-21(25-18-23(32)22-19-33-10-9-24(22)34-25)7-8-27(26)38(28)20-41-15-16-43(4,5)6;1-27(2,3)38-26(36)33-15-13-32(14-16-33)25(35)24-31-22-19-21(30-39-28(4,5)29(6,7)40-30)11-12-23(22)34(24)20-37-17-18-41(8,9)10;1-23(2,3)32-22(30)27-11-9-26(10-12-27)21(29)20-25-18-15-17(24)7-8-19(18)28(20)16-31-13-14-33(4,5)6;1-5-22-16(20)15-18-13-10-12(17)6-7-14(13)19(15)11-21-8-9-23(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;;/h7-10,17-19H,11-16,20H2,1-6H3;11-12,19H,13-18,20H2,1-10H3;7-8,15H,9-14,16H2,1-6H3;6-7,10H,5,8-9,11H2,1-4H3;1-8H3;3-6H,1-2,7-9,12H2;10H,4-7H2,1-3H3;3*1H3
• InChIKey: HIXVJUDJQQEXOX-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 436.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.30
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane?

The IUPAC name of tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane (CID 158460627) is tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane.

What is the SMILES notation for tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane?

The canonical SMILES for tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane is CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(-c4cc(Cl)c5cnccc5n4)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3cc(Br)ccc3n2COCC[Si](C)(C)C)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)c1nc2cc(Br)ccc2n1COCC[Si](C)(C)C.C[Al](C)C.Nc1ccc(CN2CCCC2)cc1.

What is the InChIKey of tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane?

The InChIKey is HIXVJUDJQQEXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39ClN6O4Si.C29H47BN4O6Si.C23H35BrN4O4Si.C16H23BrN2O3Si.C12H24B2O4.C11H16N2.C9H18N2O2.3CH3.Al/c1-31(2,3)42-30(40)37-13-11-36(12-14-37)29(39)28-35-26-17-21(25-18-23(32)22-19-33-10-9-24(22)34-25)7-8-27(26)38(28)20-41-15-16-43(4,5)6;1-27(2,3)38-26(36)33-15-13-32(14-16-33)25(35)24-31-22-19-21(30-39-28(4,5)29(6,7)40-30)11-12-23(22)34(24)20-37-17-18-41(8,9)10;1-23(2,3)32-22(30)27-11-9-26(10-12-27)21(29)20-25-18-15-17(24)7-8-19(18)28(20)16-31-13-14-33(4,5)6;1-5-22-16(20)15-18-13-10-12(17)6-7-14(13)19(15)11-21-8-9-23(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;;/h7-10,17-19H,11-16,20H2,1-6H3;11-12,19H,13-18,20H2,1-10H3;7-8,15H,9-14,16H2,1-6H3;6-7,10H,5,8-9,11H2,1-4H3;1-8H3;3-6H,1-2,7-9,12H2;10H,4-7H2,1-3H3;3*1H3;.

What are the key properties of tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane?

tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane has a molecular weight of 2837.30 g/mol, XLogP of 26.05, 30 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;4-(pyrrolidin-1-ylmethyl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethylalumane is sourced from PubChem (CID 158460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).