1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C115H127BBr4ClF4N23O11 — CID 162145140

About 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 162145140) has the molecular formula C115H127BBr4ClF4N23O11 and a molecular weight of 2449.30 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 162145140
• Molecular Formula: C115H127BBr4ClF4N23O11
• Molecular Weight: 2449.30 g/mol
• Exact Mass: 2443.65
• IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: BrCCOCCBr.Brc1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Clc1cc(N2CCOCC2)c2nccn2c1.Nc1cc(Br)nn2ccnc12.O=C(O)c1cccc(C(F)F)c1
• InChI: InChI=1S/C26H24F2N4O2.2C18H20N4O.C13H20BNO2.C11H12BrN3O.C11H12ClN3O.C8H6F2O2.C6H5BrN4.C4H8Br2O/c1-17-5-6-21(30-26(33)19-4-2-3-18(13-19)24(27)28)15-22(17)20-14-23(31-9-11-34-12-10-31)25-29-7-8-32(25)16-20;2*1-13-2-3-15(19)11-16(13)14-10-17(21-6-8-23-9-7-21)18-20-4-5-22(18)12-14;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;2*12-9-7-10(14-3-5-16-6-4-14)11-13-1-2-15(11)8-9;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-4(8)6-9-1-2-11(6)10-5;5-1-3-7-4-2-6/h2-8,13-16,24H,9-12H2,1H3,(H,30,33);2*2-5,10-12H,6-9,19H2,1H3;6-8H,15H2,1-5H3;2*1-2,7-8H,3-6H2;1-4,7H,(H,11,12);1-3H,8H2;1-4H2
• InChIKey: ZKLLRTWGZSLPQE-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 377.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2449.30
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 162145140) is 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is BrCCOCCBr.Brc1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Clc1cc(N2CCOCC2)c2nccn2c1.Nc1cc(Br)nn2ccnc12.O=C(O)c1cccc(C(F)F)c1.

What is the InChIKey of 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is ZKLLRTWGZSLPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2.2C18H20N4O.C13H20BNO2.C11H12BrN3O.C11H12ClN3O.C8H6F2O2.C6H5BrN4.C4H8Br2O/c1-17-5-6-21(30-26(33)19-4-2-3-18(13-19)24(27)28)15-22(17)20-14-23(31-9-11-34-12-10-31)25-29-7-8-32(25)16-20;2*1-13-2-3-15(19)11-16(13)14-10-17(21-6-8-23-9-7-21)18-20-4-5-22(18)12-14;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;2*12-9-7-10(14-3-5-16-6-4-14)11-13-1-2-15(11)8-9;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-4(8)6-9-1-2-11(6)10-5;5-1-3-7-4-2-6/h2-8,13-16,24H,9-12H2,1H3,(H,30,33);2*2-5,10-12H,6-9,19H2,1H3;6-8H,15H2,1-5H3;2*1-2,7-8H,3-6H2;1-4,7H,(H,11,12);1-3H,8H2;1-4H2.

What are the key properties of 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2449.30 g/mol, XLogP of 21.62, 18 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-(2-bromoethoxy)ethane;4-(6-bromoimidazo[1,2-a]pyridin-8-yl)morpholine;6-bromoimidazo[1,2-b]pyridazin-8-amine;4-(6-chloroimidazo[1,2-a]pyridin-8-yl)morpholine;3-(difluoromethyl)benzoic acid;3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]benzamide;bis(4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)aniline);4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 162145140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).