dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone

C184H258BBr2Cl3K2N36O27Si5 — CID 159491435

IUPACdipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone
SMILESCC(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(-c4cc(NCCCN5CCCCC5)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.CCOC(=O)c1nc2cc(Br)ccc2n1COCC[Si](C)(C)C.Clc1cc(Cl)c2cnccc2n1.O=C(c1nc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2[nH]1)N1CCNCC1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C39H56N8O4Si.C31H39ClN6O4Si.C29H47BN4O6Si.C28H34N8O.C23H35BrN4O4Si.C16H23BrN2O3Si.C9H18N2O2.C8H4Cl2N2.CH2O3.2K.H/c1-39(2,3)51-38(49)46-21-19-45(20-22-46)37(48)36-43-34-25-29(11-12-35(34)47(36)28-50-23-24-52(4,5)6)32-26-33(30-27-40-15-13-31(30)42-32)41-14-10-18-44-16-8-7-9-17-44;1-31(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;37-28(36-15-10-29-11-16-36)27-33-23-6-5-20(17-26(23)34-27)24-18-25(21-19-30-9-7-22(21)32-24)31-8-4-14-35-12-2-1-3-13-35;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(2,3)13-8(12)11-6-4-10-5-7-11;9-6-3-8(10)12-7-1-2-11-4-5(6)7;2-1-4-3;;;/h11-13,15,25-27H,7-10,14,16-24,28H2,1-6H3,(H,41,42);7-10,17-19H,11-16,20H2,1-6H3;11-12,19H,13-18,20H2,1-10H3;5-7,9,17-19,29H,1-4,8,10-16H2,(H,31,32)(H,33,34);7-8,15H,9-14,16H2,1-6H3;6-7,10H,5,8-9,11H2,1-4H3;10H,4-7H2,1-3H3;1-4H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1
InChIKeyLEGJZOXWQCYOAV-UHFFFAOYSA-M
MW3901.92 g/mol
LogP26.50
Rot. Bonds47

About dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone

dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone (PubChem CID 159491435) has the molecular formula C184H258BBr2Cl3K2N36O27Si5 and a molecular weight of 3901.92 g/mol. Its IUPAC name is dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone.

Molecular Properties

Compound Namedipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone
PubChem CID159491435
Molecular FormulaC184H258BBr2Cl3K2N36O27Si5
Molecular Weight3901.92 g/mol
Exact Mass3895.56
IUPAC Namedipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone
SMILESCC(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(-c4cc(NCCCN5CCCCC5)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.CCOC(=O)c1nc2cc(Br)ccc2n1COCC[Si](C)(C)C.Clc1cc(Cl)c2cnccc2n1.O=C(c1nc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2[nH]1)N1CCNCC1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C39H56N8O4Si.C31H39ClN6O4Si.C29H47BN4O6Si.C28H34N8O.C23H35BrN4O4Si.C16H23BrN2O3Si.C9H18N2O2.C8H4Cl2N2.CH2O3.2K.H/c1-39(2,3)51-38(49)46-21-19-45(20-22-46)37(48)36-43-34-25-29(11-12-35(34)47(36)28-50-23-24-52(4,5)6)32-26-33(30-27-40-15-13-31(30)42-32)41-14-10-18-44-16-8-7-9-17-44;1-31(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;37-28(36-15-10-29-11-16-36)27-33-23-6-5-20(17-26(23)34-27)24-18-25(21-19-30-9-7-22(21)32-24)31-8-4-14-35-12-2-1-3-13-35;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(2,3)13-8(12)11-6-4-10-5-7-11;9-6-3-8(10)12-7-1-2-11-4-5(6)7;2-1-4-3;;;/h11-13,15,25-27H,7-10,14,16-24,28H2,1-6H3,(H,41,42);7-10,17-19H,11-16,20H2,1-6H3;11-12,19H,13-18,20H2,1-10H3;5-7,9,17-19,29H,1-4,8,10-16H2,(H,31,32)(H,33,34);7-8,15H,9-14,16H2,1-6H3;6-7,10H,5,8-9,11H2,1-4H3;10H,4-7H2,1-3H3;1-4H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1
InChIKeyLEGJZOXWQCYOAV-UHFFFAOYSA-M
XLogP26.50
TPSA665.02 Ų
H-Bond Donors5
H-Bond Acceptors52
Rotatable Bonds47
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003901.92
LogP ≤ 526.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone?
The IUPAC name of dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone (CID 159491435) is dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone.
What is the SMILES notation for dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone?
The canonical SMILES for dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone 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(-c4cc(NCCCN5CCCCC5)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.CCOC(=O)c1nc2cc(Br)ccc2n1COCC[Si](C)(C)C.Clc1cc(Cl)c2cnccc2n1.O=C(c1nc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2[nH]1)N1CCNCC1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone?
The InChIKey is LEGJZOXWQCYOAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H56N8O4Si.C31H39ClN6O4Si.C29H47BN4O6Si.C28H34N8O.C23H35BrN4O4Si.C16H23BrN2O3Si.C9H18N2O2.C8H4Cl2N2.CH2O3.2K.H/c1-39(2,3)51-38(49)46-21-19-45(20-22-46)37(48)36-43-34-25-29(11-12-35(34)47(36)28-50-23-24-52(4,5)6)32-26-33(30-27-40-15-13-31(30)42-32)41-14-10-18-44-16-8-7-9-17-44;1-31(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;37-28(36-15-10-29-11-16-36)27-33-23-6-5-20(17-26(23)34-27)24-18-25(21-19-30-9-7-22(21)32-24)31-8-4-14-35-12-2-1-3-13-35;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(2,3)13-8(12)11-6-4-10-5-7-11;9-6-3-8(10)12-7-1-2-11-4-5(6)7;2-1-4-3;;;/h11-13,15,25-27H,7-10,14,16-24,28H2,1-6H3,(H,41,42);7-10,17-19H,11-16,20H2,1-6H3;11-12,19H,13-18,20H2,1-10H3;5-7,9,17-19,29H,1-4,8,10-16H2,(H,31,32)(H,33,34);7-8,15H,9-14,16H2,1-6H3;6-7,10H,5,8-9,11H2,1-4H3;10H,4-7H2,1-3H3;1-4H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone?
dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone has a molecular weight of 3901.92 g/mol, XLogP of 26.50, 47 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;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-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]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;2,4-dichloro-1,6-naphthyridine;ethyl 5-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxylate;hydride;oxido formate;piperazin-1-yl-[6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1H-benzimidazol-2-yl]methanone is sourced from PubChem (CID 159491435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).