sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

C143H135BBr4N28NaO8P4Pd- — CID 162073185

About sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)

sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (PubChem CID 162073185) has the molecular formula C143H135BBr4N28NaO8P4Pd- and a molecular weight of 2957.57 g/mol. Its IUPAC name is sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
• PubChem CID: 162073185
• Molecular Formula: C143H135BBr4N28NaO8P4Pd-
• Molecular Weight: 2957.57 g/mol
• Exact Mass: 2951.57
• IUPAC Name: sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)
• SMILES: C.C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc2nc[nH]c2c1.Cc1nc2ncc(Br)nc2n1-c1ccc2nc[nH]c2c1.Nc1ccc2nc[nH]c2c1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc2nc[nH]c2c1.O=[C-]OO.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H14N8.4C18H15P.C13H9BrN6.C11H17BN2O2.C11H9BrN6.C7H7N3.C4H3Br2N3.C4H6O3.CHO3.2CH4.Na.Pd.H/c1-10-24-17-18(25-15(8-21-17)11-4-5-20-16(19)6-11)26(10)12-2-3-13-14(7-12)23-9-22-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-18-12-13(19-11(14)5-15-12)20(7)8-2-3-9-10(4-8)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-4-14-10(13)11(18-9)17-6-1-2-7-8(3-6)16-5-15-7;8-5-1-2-6-7(3-5)10-4-9-6;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;2-1-4-3;;;;;/h2-9H,1H3,(H2,19,20)(H,22,23);4*1-15H;2-6H,1H3,(H,16,17);5-7H,1-4H3,(H2,13,14);1-5H,(H2,13,14)(H,15,16)(H,17,18);1-4H,8H2,(H,9,10);1H,(H2,7,8);1-2H3;3H;2*1H4;;;/q;;;;;;;;;;;-1;;;+1;;-1
• InChIKey: LVMRQTWYKJNUSV-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 529.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.57
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The IUPAC name of sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) (CID 162073185) is sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane).

What is the SMILES notation for sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The canonical SMILES for sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is C.C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc2nc[nH]c2c1.Cc1nc2ncc(Br)nc2n1-c1ccc2nc[nH]c2c1.Nc1ccc2nc[nH]c2c1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc2nc[nH]c2c1.O=[C-]OO.[H-].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

The InChIKey is LVMRQTWYKJNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8.4C18H15P.C13H9BrN6.C11H17BN2O2.C11H9BrN6.C7H7N3.C4H3Br2N3.C4H6O3.CHO3.2CH4.Na.Pd.H/c1-10-24-17-18(25-15(8-21-17)11-4-5-20-16(19)6-11)26(10)12-2-3-13-14(7-12)23-9-22-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-18-12-13(19-11(14)5-15-12)20(7)8-2-3-9-10(4-8)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-4-14-10(13)11(18-9)17-6-1-2-7-8(3-6)16-5-15-7;8-5-1-2-6-7(3-5)10-4-9-6;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;2-1-4-3;;;;;/h2-9H,1H3,(H2,19,20)(H,22,23);4*1-15H;2-6H,1H3,(H,16,17);5-7H,1-4H3,(H2,13,14);1-5H,(H2,13,14)(H,15,16)(H,17,18);1-4H,8H2,(H,9,10);1H,(H2,7,8);1-2H3;3H;2*1H4;;;/q;;;;;;;;;;;-1;;;+1;;-1.

What are the key properties of sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane)?

sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) has a molecular weight of 2957.57 g/mol, XLogP of 23.34, 19 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;hydride;hydroperoxymethanone;methane;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 162073185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).