potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C88H96BBr3F5KN16O11 — CID 163684037

About potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 163684037) has the molecular formula C88H96BBr3F5KN16O11 and a molecular weight of 1938.45 g/mol. Its IUPAC name is potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 163684037
• Molecular Formula: C88H96BBr3F5KN16O11
• Molecular Weight: 1938.45 g/mol
• Exact Mass: 1934.46
• IUPAC Name: potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC(C)(C)[O-].CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ccc(-c3ccnc(N)c3)c(F)c2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ccc(Br)c(F)c2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.O=[N+]([O-])c1ccc(Br)c(F)c1F.O=[N+]([O-])c1ccc(Br)c(F)c1Nc1ccc(N2CCOCC2)cc1.[K+]
• InChI: InChI=1S/C23H22FN5O.C18H17BrFN3O.C16H15BrFN3O3.C11H17BN2O2.C10H14N2O.C6H2BrF2NO2.C4H9O.K/c1-15-27-20-7-6-19(16-8-9-26-21(25)14-16)22(24)23(20)29(15)18-4-2-17(3-5-18)28-10-12-30-13-11-28;1-12-21-16-7-6-15(19)17(20)18(16)23(12)14-4-2-13(3-5-14)22-8-10-24-11-9-22;17-13-5-6-14(21(22)23)16(15(13)18)19-11-1-3-12(4-2-11)20-7-9-24-10-8-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;7-3-1-2-4(10(11)12)6(9)5(3)8;1-4(2,3)5;/h2-9,14H,10-13H2,1H3,(H2,25,26);2-7H,8-11H2,1H3;1-6,19H,7-10H2;5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1-2H;1-3H3;/q;;;;;;-1;+1
• InChIKey: JNGPASLWOWYLKY-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 329.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1938.45
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 163684037) is potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC(C)(C)[O-].CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ccc(-c3ccnc(N)c3)c(F)c2n1-c1ccc(N2CCOCC2)cc1.Cc1nc2ccc(Br)c(F)c2n1-c1ccc(N2CCOCC2)cc1.Nc1ccc(N2CCOCC2)cc1.O=[N+]([O-])c1ccc(Br)c(F)c1F.O=[N+]([O-])c1ccc(Br)c(F)c1Nc1ccc(N2CCOCC2)cc1.[K+].

What is the InChIKey of potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is JNGPASLWOWYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.C18H17BrFN3O.C16H15BrFN3O3.C11H17BN2O2.C10H14N2O.C6H2BrF2NO2.C4H9O.K/c1-15-27-20-7-6-19(16-8-9-26-21(25)14-16)22(24)23(20)29(15)18-4-2-17(3-5-18)28-10-12-30-13-11-28;1-12-21-16-7-6-15(19)17(20)18(16)23(12)14-4-2-13(3-5-14)22-8-10-24-11-9-22;17-13-5-6-14(21(22)23)16(15(13)18)19-11-1-3-12(4-2-11)20-7-9-24-10-8-20;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;7-3-1-2-4(10(11)12)6(9)5(3)8;1-4(2,3)5;/h2-9,14H,10-13H2,1H3,(H2,25,26);2-7H,8-11H2,1H3;1-6,19H,7-10H2;5-7H,1-4H3,(H2,13,14);1-4H,5-8,11H2;1-2H;1-3H3;/q;;;;;;-1;+1.

What are the key properties of potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1938.45 g/mol, XLogP of 13.96, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-bromo-2,3-difluoro-4-nitrobenzene;4-[4-(6-bromo-7-fluoro-2-methylbenzimidazol-1-yl)phenyl]morpholine;3-bromo-2-fluoro-N-(4-morpholin-4-ylphenyl)-6-nitroaniline;4-[4-fluoro-2-methyl-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]pyridin-2-amine;2-methylpropan-2-olate;4-morpholin-4-ylaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 163684037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).