2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C130H119B4Br2Cl6N13O10 — CID 160753840

About 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160753840) has the molecular formula C130H119B4Br2Cl6N13O10 and a molecular weight of 2439.24 g/mol. Its IUPAC name is 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160753840
• Molecular Formula: C130H119B4Br2Cl6N13O10
• Molecular Weight: 2439.24 g/mol
• Exact Mass: 2433.61
• IUPAC Name: 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1c(-c2ccccc2)nc2ccccn12.CC(=O)c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c(-c4ccccc4)nc4ccccn34)c(Cl)c2)OC1(C)C.Clc1ccc(-c2c(-c3ccccc3)nc3ccccn23)c(Cl)c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.Nc1ccccn1.O=C(CBr)c1ccccc1.OB(O)c1ccc(Cl)cc1Cl.c1ccc(-c2cn3ccccc3n2)cc1
• InChI: InChI=1S/C25H24BClN2O2.C21H14ClN3.C19H12Cl2N2.C13H9BrN2.C13H10N2.C12H24B2O4.C8H7BrO.C8H8O.C6H5BCl2O2.C5H6N2/c1-24(2)25(3,4)31-26(30-24)18-13-14-19(20(27)16-18)23-22(17-10-6-5-7-11-17)28-21-12-8-9-15-29(21)23;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;20-14-9-10-15(16(21)12-14)19-18(13-6-2-1-3-7-13)22-17-8-4-5-11-23(17)19;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-8(10)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-1-2-4-7-5/h5-16H,1-4H3;1-14H;1-12H;1-9H;1-10H;1-8H3;1-5H,6H2;2-6H,1H3;1-3,10-11H;1-4H,(H2,6,7)
• InChIKey: RXDZWCAOHDMAHT-UHFFFAOYSA-N
• XLogP: 31.63
• TPSA: 276.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.24
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160753840) is 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1c(-c2ccccc2)nc2ccccn12.CC(=O)c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c(-c4ccccc4)nc4ccccn34)c(Cl)c2)OC1(C)C.Clc1ccc(-c2c(-c3ccccc3)nc3ccccn23)c(Cl)c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.Nc1ccccn1.O=C(CBr)c1ccccc1.OB(O)c1ccc(Cl)cc1Cl.c1ccc(-c2cn3ccccc3n2)cc1.

What is the InChIKey of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is RXDZWCAOHDMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BClN2O2.C21H14ClN3.C19H12Cl2N2.C13H9BrN2.C13H10N2.C12H24B2O4.C8H7BrO.C8H8O.C6H5BCl2O2.C5H6N2/c1-24(2)25(3,4)31-26(30-24)18-13-14-19(20(27)16-18)23-22(17-10-6-5-7-11-17)28-21-12-8-9-15-29(21)23;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;20-14-9-10-15(16(21)12-14)19-18(13-6-2-1-3-7-13)22-17-8-4-5-11-23(17)19;14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-8(10)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-1-2-4-7-5/h5-16H,1-4H3;1-14H;1-12H;1-9H;1-10H;1-8H3;1-5H,6H2;2-6H,1H3;1-3,10-11H;1-4H,(H2,6,7).

What are the key properties of 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2439.24 g/mol, XLogP of 31.63, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160753840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).