1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole

C187H133BBr5FN26O9 — CID 158551252

About 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole

1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 158551252) has the molecular formula C187H133BBr5FN26O9 and a molecular weight of 3317.62 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 158551252
• Molecular Formula: C187H133BBr5FN26O9
• Molecular Weight: 3317.62 g/mol
• Exact Mass: 3310.67
• IUPAC Name: 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole
• SMILES: Brc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1ccc2c(c1)nc1n(-c3ccccc3)c3ccccc3n21.C.CC1(C)OB(c2ccc3c(c2)nc2n(-c4ccccc4)c4ccccc4n32)OC1(C)C.Nc1cc(Br)ccc1-n1c(=O)n(-c2ccccc2)c2ccccc21.O=[N+]([O-])c1cc(Br)ccc1F.O=c1[nH]c2ccccc2n1-c1ccccc1.O=c1n(-c2ccccc2)c2ccccc2n1-c1ccc(Br)cc1[N+](=O)[O-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)nc6n(-c8ccccc8)c8ccccc8n76)ccc54)c3)n2)cc1
• InChI: InChI=1S/C52H33N7.C33H21BrN4.C25H24BN3O2.C19H12BrN3O3.C19H14BrN3O.C19H12BrN3.C13H10N2O.C6H3BrFNO2.CH4/c1-4-15-34(16-5-1)49-54-50(35-17-6-2-7-18-35)56-51(55-49)38-19-14-22-40(31-38)57-44-24-11-10-23-41(44)42-32-36(27-29-45(42)57)37-28-30-46-43(33-37)53-52-58(39-20-8-3-9-21-39)47-25-12-13-26-48(47)59(46)52;34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;1-24(2)25(3,4)31-26(30-24)17-14-15-20-19(16-17)27-23-28(18-10-6-5-7-11-18)21-12-8-9-13-22(21)29(20)23;20-13-10-11-17(18(12-13)23(25)26)22-16-9-5-4-8-15(16)21(19(22)24)14-6-2-1-3-7-14;20-13-10-11-16(15(21)12-13)23-18-9-5-4-8-17(18)22(19(23)24)14-6-2-1-3-7-14;20-13-10-11-16-15(12-13)21-19-22(14-6-2-1-3-7-14)17-8-4-5-9-18(17)23(16)19;16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10;7-4-1-2-5(8)6(3-4)9(10)11;/h1-33H;1-21H;5-16H,1-4H3;1-12H;1-12H,21H2;1-12H;1-9H,(H,14,16);1-3H;1H4
• InChIKey: HPTDCZIRHXVOOI-UHFFFAOYSA-N
• XLogP: 45.07
• TPSA: 376.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3317.62
LogP ≤ 5	45.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole (CID 158551252) is 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole is Brc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1ccc2c(c1)nc1n(-c3ccccc3)c3ccccc3n21.C.CC1(C)OB(c2ccc3c(c2)nc2n(-c4ccccc4)c4ccccc4n32)OC1(C)C.Nc1cc(Br)ccc1-n1c(=O)n(-c2ccccc2)c2ccccc21.O=[N+]([O-])c1cc(Br)ccc1F.O=c1[nH]c2ccccc2n1-c1ccccc1.O=c1n(-c2ccccc2)c2ccccc2n1-c1ccc(Br)cc1[N+](=O)[O-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)nc6n(-c8ccccc8)c8ccccc8n76)ccc54)c3)n2)cc1.

What is the InChIKey of 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?

The InChIKey is HPTDCZIRHXVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7.C33H21BrN4.C25H24BN3O2.C19H12BrN3O3.C19H14BrN3O.C19H12BrN3.C13H10N2O.C6H3BrFNO2.CH4/c1-4-15-34(16-5-1)49-54-50(35-17-6-2-7-18-35)56-51(55-49)38-19-14-22-40(31-38)57-44-24-11-10-23-41(44)42-32-36(27-29-45(42)57)37-28-30-46-43(33-37)53-52-58(39-20-8-3-9-21-39)47-25-12-13-26-48(47)59(46)52;34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;1-24(2)25(3,4)31-26(30-24)17-14-15-20-19(16-17)27-23-28(18-10-6-5-7-11-18)21-12-8-9-13-22(21)29(20)23;20-13-10-11-17(18(12-13)23(25)26)22-16-9-5-4-8-15(16)21(19(22)24)14-6-2-1-3-7-14;20-13-10-11-16(15(21)12-13)23-18-9-5-4-8-17(18)22(19(23)24)14-6-2-1-3-7-14;20-13-10-11-16-15(12-13)21-19-22(14-6-2-1-3-7-14)17-8-4-5-9-18(17)23(16)19;16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10;7-4-1-2-5(8)6(3-4)9(10)11;/h1-33H;1-21H;5-16H,1-4H3;1-12H;1-12H,21H2;1-12H;1-9H,(H,14,16);1-3H;1H4.

What are the key properties of 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?

1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 3317.62 g/mol, XLogP of 45.07, 20 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-4-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3-phenylbenzimidazol-2-one;3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;methane;3-phenyl-1H-benzimidazol-2-one;6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 158551252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).