2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol

C183H264B2Br3N39O19Si6+2 — CID 160869363

IUPAC2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol
SMILESC=C1N=c2cc(B3OC(C)(C)C(C)(C)O3)c(OC)cc2=[N+]1COCC[Si](C)(C)C.C=C1N=c2cc(Br)c(OC)cc2=[N+]1COCC[Si](C)(C)C.CC1=Nc2cc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)cc2C1.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)N=C(C)C2.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)nc(C)n2COCC[Si](C)(C)C.COc1cc2c(cc1Br)N=C(C)C2.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1-c1cc2nnn(C3CC(C)(C)NC(C)(C)C3)c2nn1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/2C28H42N8O2Si.C23H29N7O.C22H27N7O.C21H35BN2O4Si.C21H34BN2O4Si.C15H23BrN2O2Si.C15H22BrN2O2Si.C10H10BrNO/c1-18-29-22-14-25(37-6)20(12-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-18-29-22-12-20(25(37-6)14-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-13-7-14-8-20(31-6)16(9-17(14)24-13)18-10-19-21(27-25-18)30(29-26-19)15-11-22(2,3)28-23(4,5)12-15;1-12-6-13-7-19(30)15(8-16(13)23-12)17-9-18-20(26-24-17)29(28-25-18)14-10-21(2,3)27-22(4,5)11-14;1-15-23-17-13-19(25-6)16(22-27-20(2,3)21(4,5)28-22)12-18(17)24(15)14-26-10-11-29(7,8)9;1-15-23-17-12-16(22-27-20(2,3)21(4,5)28-22)19(25-6)13-18(17)24(15)14-26-10-11-29(7,8)9;1-11-17-13-9-15(19-2)12(16)8-14(13)18(11)10-20-6-7-21(3,4)5;1-11-17-13-8-12(16)15(19-2)9-14(13)18(11)10-20-6-7-21(3,4)5;1-6-3-7-4-10(13-2)8(11)5-9(7)12-6/h2*12-14,19,33H,10-11,15-17H2,1-9H3;8-10,15,28H,7,11-12H2,1-6H3;7-9,14,27,30H,6,10-11H2,1-5H3;12-13H,10-11,14H2,1-9H3;12-13H,1,10-11,14H2,2-9H3;8-9H,6-7,10H2,1-5H3;8-9H,1,6-7,10H2,2-5H3;4-5H,3H2,1-2H3/q;;;;;+1;;+1;
InChIKeySLOAZCRKWCYBQF-UHFFFAOYSA-N
MW3744.23 g/mol
LogP34.22
Rot. Bonds48

About 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol

2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol (PubChem CID 160869363) has the molecular formula C183H264B2Br3N39O19Si6+2 and a molecular weight of 3744.23 g/mol. Its IUPAC name is 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol.

Molecular Properties

Compound Name2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol
PubChem CID160869363
Molecular FormulaC183H264B2Br3N39O19Si6+2
Molecular Weight3744.23 g/mol
Exact Mass3738.72
IUPAC Name2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol
SMILESC=C1N=c2cc(B3OC(C)(C)C(C)(C)O3)c(OC)cc2=[N+]1COCC[Si](C)(C)C.C=C1N=c2cc(Br)c(OC)cc2=[N+]1COCC[Si](C)(C)C.CC1=Nc2cc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)cc2C1.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)N=C(C)C2.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)nc(C)n2COCC[Si](C)(C)C.COc1cc2c(cc1Br)N=C(C)C2.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1-c1cc2nnn(C3CC(C)(C)NC(C)(C)C3)c2nn1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/2C28H42N8O2Si.C23H29N7O.C22H27N7O.C21H35BN2O4Si.C21H34BN2O4Si.C15H23BrN2O2Si.C15H22BrN2O2Si.C10H10BrNO/c1-18-29-22-14-25(37-6)20(12-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-18-29-22-12-20(25(37-6)14-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-13-7-14-8-20(31-6)16(9-17(14)24-13)18-10-19-21(27-25-18)30(29-26-19)15-11-22(2,3)28-23(4,5)12-15;1-12-6-13-7-19(30)15(8-16(13)23-12)17-9-18-20(26-24-17)29(28-25-18)14-10-21(2,3)27-22(4,5)11-14;1-15-23-17-13-19(25-6)16(22-27-20(2,3)21(4,5)28-22)12-18(17)24(15)14-26-10-11-29(7,8)9;1-15-23-17-12-16(22-27-20(2,3)21(4,5)28-22)19(25-6)13-18(17)24(15)14-26-10-11-29(7,8)9;1-11-17-13-9-15(19-2)12(16)8-14(13)18(11)10-20-6-7-21(3,4)5;1-11-17-13-8-12(16)15(19-2)9-14(13)18(11)10-20-6-7-21(3,4)5;1-6-3-7-4-10(13-2)8(11)5-9(7)12-6/h2*12-14,19,33H,10-11,15-17H2,1-9H3;8-10,15,28H,7,11-12H2,1-6H3;7-9,14,27,30H,6,10-11H2,1-5H3;12-13H,10-11,14H2,1-9H3;12-13H,1,10-11,14H2,2-9H3;8-9H,6-7,10H2,1-5H3;8-9H,1,6-7,10H2,2-5H3;4-5H,3H2,1-2H3/q;;;;;+1;;+1;
InChIKeySLOAZCRKWCYBQF-UHFFFAOYSA-N
XLogP34.22
TPSA599.55 Ų
H-Bond Donors5
H-Bond Acceptors56
Rotatable Bonds48
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003744.23
LogP ≤ 534.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol?
The IUPAC name of 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol (CID 160869363) is 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol.
What is the SMILES notation for 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol?
The canonical SMILES for 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol is C=C1N=c2cc(B3OC(C)(C)C(C)(C)O3)c(OC)cc2=[N+]1COCC[Si](C)(C)C.C=C1N=c2cc(Br)c(OC)cc2=[N+]1COCC[Si](C)(C)C.CC1=Nc2cc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)cc2C1.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)N=C(C)C2.COc1cc2c(cc1-c1cc3nnn(C4CC(C)(C)NC(C)(C)C4)c3nn1)nc(C)n2COCC[Si](C)(C)C.COc1cc2c(cc1Br)N=C(C)C2.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1-c1cc2nnn(C3CC(C)(C)NC(C)(C)C3)c2nn1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1.COc1cc2nc(C)n(COCC[Si](C)(C)C)c2cc1Br.
What is the InChIKey of 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol?
The InChIKey is SLOAZCRKWCYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H42N8O2Si.C23H29N7O.C22H27N7O.C21H35BN2O4Si.C21H34BN2O4Si.C15H23BrN2O2Si.C15H22BrN2O2Si.C10H10BrNO/c1-18-29-22-14-25(37-6)20(12-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-18-29-22-12-20(25(37-6)14-24(22)35(18)17-38-10-11-39(7,8)9)21-13-23-26(32-30-21)36(34-31-23)19-15-27(2,3)33-28(4,5)16-19;1-13-7-14-8-20(31-6)16(9-17(14)24-13)18-10-19-21(27-25-18)30(29-26-19)15-11-22(2,3)28-23(4,5)12-15;1-12-6-13-7-19(30)15(8-16(13)23-12)17-9-18-20(26-24-17)29(28-25-18)14-10-21(2,3)27-22(4,5)11-14;1-15-23-17-13-19(25-6)16(22-27-20(2,3)21(4,5)28-22)12-18(17)24(15)14-26-10-11-29(7,8)9;1-15-23-17-12-16(22-27-20(2,3)21(4,5)28-22)19(25-6)13-18(17)24(15)14-26-10-11-29(7,8)9;1-11-17-13-9-15(19-2)12(16)8-14(13)18(11)10-20-6-7-21(3,4)5;1-11-17-13-8-12(16)15(19-2)9-14(13)18(11)10-20-6-7-21(3,4)5;1-6-3-7-4-10(13-2)8(11)5-9(7)12-6/h2*12-14,19,33H,10-11,15-17H2,1-9H3;8-10,15,28H,7,11-12H2,1-6H3;7-9,14,27,30H,6,10-11H2,1-5H3;12-13H,10-11,14H2,1-9H3;12-13H,1,10-11,14H2,2-9H3;8-9H,6-7,10H2,1-5H3;8-9H,1,6-7,10H2,2-5H3;4-5H,3H2,1-2H3/q;;;;;+1;;+1;.
What are the key properties of 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol?
2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol has a molecular weight of 3744.23 g/mol, XLogP of 34.22, 48 rotatable bonds, 5 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-5-methoxy-2-methylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-6-methoxy-2-methylidenebenzimidazol-1-ium-1-yl)methoxy]ethyl-trimethylsilane;6-bromo-5-methoxy-2-methyl-3H-indole;2-[[6-methoxy-2-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-ium-1-yl]methoxy]ethyl-trimethylsilane;6-(5-methoxy-2-methyl-3H-indol-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;2-[[5-methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-methoxy-2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-methoxy-2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-methyl-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-3H-indol-5-ol is sourced from PubChem (CID 160869363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).