2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate

C153H186BBrFN21O15PdSi3 — CID 163695904

About 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate

2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate (PubChem CID 163695904) has the molecular formula C153H186BBrFN21O15PdSi3 and a molecular weight of 2859.69 g/mol. Its IUPAC name is 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate.

Molecular Properties

• Compound Name: 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate
• PubChem CID: 163695904
• Molecular Formula: C153H186BBrFN21O15PdSi3
• Molecular Weight: 2859.69 g/mol
• Exact Mass: 2856.20
• IUPAC Name: 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate
• SMILES: C.CCCc1ccc2c(c1)nc(N1CCc3ccc(O)cc3C1)n2COCC[Si](C)(C)C.CCCc1ccc2c(c1)nc(N1CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C1)n2COCC[Si](C)(C)C.CCCc1ccc2nc(N3CCc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]c2c1.C[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(C3CC3)ccc21.Cn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(Br)ccc21.O.O.O=C1CCc2c(F)ccnc2N1.OB(O)C1CC1.[Pd]
• InChI: InChI=1S/C33H41N5O3Si.C32H39N3O2Si.C27H27N5O2.C25H35N3O2Si.C24H22BrN3O.C8H7FN2O.C3H7BO2.CH4.2H2O.Pd/c1-5-6-23-7-11-29-28(19-23)35-33(38(29)22-40-17-18-42(2,3)4)37-16-14-24-8-9-26(20-25(24)21-37)41-30-13-15-34-32-27(30)10-12-31(39)36-32;1-38(2,3)18-17-36-23-35-31-14-12-27(25-9-10-25)20-30(31)33-32(35)34-16-15-26-11-13-29(19-28(26)21-34)37-22-24-7-5-4-6-8-24;1-2-3-17-4-8-22-23(14-17)30-27(29-22)32-13-11-18-5-6-20(15-19(18)16-32)34-24-10-12-28-26-21(24)7-9-25(33)31-26;1-5-6-19-7-10-24-23(15-19)26-25(28(24)18-30-13-14-31(2,3)4)27-12-11-20-8-9-22(29)16-21(20)17-27;1-27-23-10-8-20(25)14-22(23)26-24(27)28-12-11-18-7-9-21(13-19(18)15-28)29-16-17-5-3-2-4-6-17;9-6-3-4-10-8-5(6)1-2-7(12)11-8;5-4(6)3-1-2-3;;;;/h7-9,11,13,15,19-20H,5-6,10,12,14,16-18,21-22H2,1-4H3,(H,34,36,39);4-8,11-14,19-20,25H,9-10,15-18,21-23H2,1-3H3;4-6,8,10,12,14-15H,2-3,7,9,11,13,16H2,1H3,(H,29,30)(H,28,31,33);7-10,15-16,29H,5-6,11-14,17-18H2,1-4H3;2-10,13-14H,11-12,15-16H2,1H3;3-4H,1-2H2,(H,10,11,12);3,5-6H,1-2H2;1H4;2*1H2
• InChIKey: FFXRKZSEXDSLMD-UHFFFAOYSA-N
• XLogP: 30.21
• TPSA: 430.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2859.69
LogP ≤ 5	30.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'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-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate?

The IUPAC name of 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate (CID 163695904) is 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate.

What is the SMILES notation for 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate?

The canonical SMILES for 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate is C.CCCc1ccc2c(c1)nc(N1CCc3ccc(O)cc3C1)n2COCC[Si](C)(C)C.CCCc1ccc2c(c1)nc(N1CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C1)n2COCC[Si](C)(C)C.CCCc1ccc2nc(N3CCc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]c2c1.C[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(C3CC3)ccc21.Cn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(Br)ccc21.O.O.O=C1CCc2c(F)ccnc2N1.OB(O)C1CC1.[Pd].

What is the InChIKey of 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate?

The InChIKey is FFXRKZSEXDSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3Si.C32H39N3O2Si.C27H27N5O2.C25H35N3O2Si.C24H22BrN3O.C8H7FN2O.C3H7BO2.CH4.2H2O.Pd/c1-5-6-23-7-11-29-28(19-23)35-33(38(29)22-40-17-18-42(2,3)4)37-16-14-24-8-9-26(20-25(24)21-37)41-30-13-15-34-32-27(30)10-12-31(39)36-32;1-38(2,3)18-17-36-23-35-31-14-12-27(25-9-10-25)20-30(31)33-32(35)34-16-15-26-11-13-29(19-28(26)21-34)37-22-24-7-5-4-6-8-24;1-2-3-17-4-8-22-23(14-17)30-27(29-22)32-13-11-18-5-6-20(15-19(18)16-32)34-24-10-12-28-26-21(24)7-9-25(33)31-26;1-5-6-19-7-10-24-23(15-19)26-25(28(24)18-30-13-14-31(2,3)4)27-12-11-20-8-9-22(29)16-21(20)17-27;1-27-23-10-8-20(25)14-22(23)26-24(27)28-12-11-18-7-9-21(13-19(18)15-28)29-16-17-5-3-2-4-6-17;9-6-3-4-10-8-5(6)1-2-7(12)11-8;5-4(6)3-1-2-3;;;;/h7-9,11,13,15,19-20H,5-6,10,12,14,16-18,21-22H2,1-4H3,(H,34,36,39);4-8,11-14,19-20,25H,9-10,15-18,21-23H2,1-3H3;4-6,8,10,12,14-15H,2-3,7,9,11,13,16H2,1H3,(H,29,30)(H,28,31,33);7-10,15-16,29H,5-6,11-14,17-18H2,1-4H3;2-10,13-14H,11-12,15-16H2,1H3;3-4H,1-2H2,(H,10,11,12);3,5-6H,1-2H2;1H4;2*1H2;.

What are the key properties of 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate?

2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate has a molecular weight of 2859.69 g/mol, XLogP of 30.21, 38 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-1-methylbenzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;cyclopropylboronic acid;2-[[5-cyclopropyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;palladium;5-[[2-(6-propyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[5-propyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;dihydrate is sourced from PubChem (CID 163695904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).