potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)

C121H133BBr3Cl5F7KN14O9P2Pd2 — CID 158177136

IUPACpotassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)
SMILESC/C(CC1CC1)=N\c1c(F)cc(Br)cc1F.C1CCOC1.CC(=O)NC1CC1.CC(=O)O.CC(=O)O.CC(C)(C)[O-].Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C1CC1.Cc1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1C1CC1.Cc1nc2c(F)cc(Br)cc2n1C1CC1.Cl[Pd]Cl.Clc1ccnc(Cl)n1.NC1CC1.Nc1c(F)cc(Br)cc1F.[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C17H22BFN2O2.C15H12ClFN4.C12H12BrF2N.C11H10BrFN2.C6H4BrF2N.C5H9NO.C4H2Cl2N2.C4H8O.C4H9O.C3H7N.2C2H4O2.2ClH.K.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-20-15-13(19)8-11(9-14(15)21(10)12-6-7-12)18-22-16(2,3)17(4,5)23-18;1-8-19-14-11(17)6-9(12-4-5-18-15(16)20-12)7-13(14)21(8)10-2-3-10;1-7(4-8-2-3-8)16-12-10(14)5-9(13)6-11(12)15;1-6-14-11-9(13)4-7(12)5-10(11)15(6)8-2-3-8;7-3-1-4(8)6(10)5(9)2-3;1-4(7)6-5-2-3-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-4(2,3)5;4-3-1-2-3;2*1-2(3)4;;;;;/h2*1-15H;8-9,12H,6-7H2,1-5H3;4-7,10H,2-3H2,1H3;5-6,8H,2-4H2,1H3;4-5,8H,2-3H2,1H3;1-2H,10H2;5H,2-3H2,1H3,(H,6,7);1-2H;1-4H2;1-3H3;3H,1-2,4H2;2*1H3,(H,3,4);2*1H;;;/q;;;;;;;;;;-1;;;;;;+1;;+2/p-2/b;;;;16-7+;;;;;;;;;;;;;;
InChIKeySHZJOVSESOWPAF-FNNXPNKCSA-L
MW2802.14 g/mol
LogP26.12
Rot. Bonds15

About potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)

potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) (PubChem CID 158177136) has the molecular formula C121H133BBr3Cl5F7KN14O9P2Pd2 and a molecular weight of 2802.14 g/mol. Its IUPAC name is potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane).

Molecular Properties

Compound Namepotassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)
PubChem CID158177136
Molecular FormulaC121H133BBr3Cl5F7KN14O9P2Pd2
Molecular Weight2802.14 g/mol
Exact Mass2794.35
IUPAC Namepotassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)
SMILESC/C(CC1CC1)=N\c1c(F)cc(Br)cc1F.C1CCOC1.CC(=O)NC1CC1.CC(=O)O.CC(=O)O.CC(C)(C)[O-].Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C1CC1.Cc1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1C1CC1.Cc1nc2c(F)cc(Br)cc2n1C1CC1.Cl[Pd]Cl.Clc1ccnc(Cl)n1.NC1CC1.Nc1c(F)cc(Br)cc1F.[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C17H22BFN2O2.C15H12ClFN4.C12H12BrF2N.C11H10BrFN2.C6H4BrF2N.C5H9NO.C4H2Cl2N2.C4H8O.C4H9O.C3H7N.2C2H4O2.2ClH.K.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-20-15-13(19)8-11(9-14(15)21(10)12-6-7-12)18-22-16(2,3)17(4,5)23-18;1-8-19-14-11(17)6-9(12-4-5-18-15(16)20-12)7-13(14)21(8)10-2-3-10;1-7(4-8-2-3-8)16-12-10(14)5-9(13)6-11(12)15;1-6-14-11-9(13)4-7(12)5-10(11)15(6)8-2-3-8;7-3-1-4(8)6(10)5(9)2-3;1-4(7)6-5-2-3-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-4(2,3)5;4-3-1-2-3;2*1-2(3)4;;;;;/h2*1-15H;8-9,12H,6-7H2,1-5H3;4-7,10H,2-3H2,1H3;5-6,8H,2-4H2,1H3;4-5,8H,2-3H2,1H3;1-2H,10H2;5H,2-3H2,1H3,(H,6,7);1-2H;1-4H2;1-3H3;3H,1-2,4H2;2*1H3,(H,3,4);2*1H;;;/q;;;;;;;;;;-1;;;;;;+1;;+2/p-2/b;;;;16-7+;;;;;;;;;;;;;;
InChIKeySHZJOVSESOWPAF-FNNXPNKCSA-L
XLogP26.12
TPSA323.87 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.14
LogP ≤ 526.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) with MolForge

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Launch Full Analysis

Related Compounds

acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 159300355
dipotassium;acetic acid;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-methyl-1-propan-2-ylbenzimidazole;5-bromo-2-nitro-N-propan-2-ylaniline;4-bromo-2-N-propan-2-ylbenzene-1,2-diamine;6-(2-chloropyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole;hydride;methane;2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;oxido formate;oxolane
CID 161015093
acetyl acetate;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-(4-bromo-2,6-difluorophenyl)-N'-cyclopropylethanimidamide;tert-butyl 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide
CID 161090326

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)?
The IUPAC name of potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) (CID 158177136) is potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane).
What is the SMILES notation for potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)?
The canonical SMILES for potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) is C/C(CC1CC1)=N\c1c(F)cc(Br)cc1F.C1CCOC1.CC(=O)NC1CC1.CC(=O)O.CC(=O)O.CC(C)(C)[O-].Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C1CC1.Cc1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1C1CC1.Cc1nc2c(F)cc(Br)cc2n1C1CC1.Cl[Pd]Cl.Clc1ccnc(Cl)n1.NC1CC1.Nc1c(F)cc(Br)cc1F.[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)?
The InChIKey is SHZJOVSESOWPAF-FNNXPNKCSA-L. The full InChI is InChI=1S/2C18H15P.C17H22BFN2O2.C15H12ClFN4.C12H12BrF2N.C11H10BrFN2.C6H4BrF2N.C5H9NO.C4H2Cl2N2.C4H8O.C4H9O.C3H7N.2C2H4O2.2ClH.K.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-20-15-13(19)8-11(9-14(15)21(10)12-6-7-12)18-22-16(2,3)17(4,5)23-18;1-8-19-14-11(17)6-9(12-4-5-18-15(16)20-12)7-13(14)21(8)10-2-3-10;1-7(4-8-2-3-8)16-12-10(14)5-9(13)6-11(12)15;1-6-14-11-9(13)4-7(12)5-10(11)15(6)8-2-3-8;7-3-1-4(8)6(10)5(9)2-3;1-4(7)6-5-2-3-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;1-4(2,3)5;4-3-1-2-3;2*1-2(3)4;;;;;/h2*1-15H;8-9,12H,6-7H2,1-5H3;4-7,10H,2-3H2,1H3;5-6,8H,2-4H2,1H3;4-5,8H,2-3H2,1H3;1-2H,10H2;5H,2-3H2,1H3,(H,6,7);1-2H;1-4H2;1-3H3;3H,1-2,4H2;2*1H3,(H,3,4);2*1H;;;/q;;;;;;;;;;-1;;;;;;+1;;+2/p-2/b;;;;16-7+;;;;;;;;;;;;;;.
What are the key properties of potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane)?
potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) has a molecular weight of 2802.14 g/mol, XLogP of 26.12, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;6-bromo-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;4-bromo-2,6-difluoroaniline;N-(4-bromo-2,6-difluorophenyl)-1-cyclopropylpropan-2-imine;6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;cyclopropanamine;N-cyclopropylacetamide;1-cyclopropyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;dichloropalladium;2,4-dichloropyrimidine;2-methylpropan-2-olate;oxolane;palladium;bis(triphenylphosphane) is sourced from PubChem (CID 158177136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).