2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid

C149H185Br3ClN29O18S — CID 167552867

About 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid

2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid (PubChem CID 167552867) has the molecular formula C149H185Br3ClN29O18S and a molecular weight of 2977.54 g/mol. Its IUPAC name is 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid.

Molecular Properties

• Compound Name: 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid
• PubChem CID: 167552867
• Molecular Formula: C149H185Br3ClN29O18S
• Molecular Weight: 2977.54 g/mol
• Exact Mass: 2972.14
• IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid
• SMILES: CCC.CN(C)c1ccn2cc(-c3ccc(Br)cc3)nc2c1.CN(C)c1ccn2cc(-c3ccc(N4CCC(CC=O)CC4)cc3)nc2c1.CN(C)c1ccn2cc(-c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)nc2c1.CN(C)c1ccnc(N)c1.COC(CC1CCN(c2ccc(-c3cn4ccc(N(C)C)cc4n3)cc2)CC1)OC.COC(CC1CCNCC1)OC.Nc1cc(Cl)ccn1.O=C(CBr)c1ccc(Br)cc1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=S(=O)(O)O
• InChI: InChI=1S/C39H44N8O4.C24H32N4O2.C22H26N4O.C17H18N4O4.C15H14BrN3.C9H19NO2.C8H6Br2O.C7H11N3.C5H5ClN2.C3H8.H2O4S/c1-42(2)29-14-18-46-25-33(40-35(46)24-29)27-3-5-28(6-4-27)44-16-12-26(13-17-44)11-15-43-19-21-45(22-20-43)30-7-8-31-32(23-30)39(51)47(38(31)50)34-9-10-36(48)41-37(34)49;1-26(2)21-11-14-28-17-22(25-23(28)16-21)19-5-7-20(8-6-19)27-12-9-18(10-13-27)15-24(29-3)30-4;1-24(2)20-9-13-26-16-21(23-22(26)15-20)18-3-5-19(6-4-18)25-11-7-17(8-12-25)10-14-27;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-18(2)13-7-8-19-10-14(17-15(19)9-13)11-3-5-12(16)6-4-11;1-11-9(12-2)7-8-3-5-10-6-4-8;9-5-8(11)6-1-3-7(10)4-2-6;1-10(2)6-3-4-9-7(8)5-6;6-4-1-2-8-5(7)3-4;1-3-2;1-5(2,3)4/h3-8,14,18,23-26,34H,9-13,15-17,19-22H2,1-2H3,(H,41,48,49);5-8,11,14,16-18,24H,9-10,12-13,15H2,1-4H3;3-6,9,13-17H,7-8,10-12H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);3-10H,1-2H3;8-10H,3-7H2,1-2H3;1-4H,5H2;3-5H,1-2H3,(H2,8,9);1-3H,(H2,7,8);3H2,1-2H3;(H2,1,2,3,4)
• InChIKey: DWOSEOSLJQXSOB-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 519.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2977.54
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid?

The IUPAC name of 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid (CID 167552867) is 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid.

What is the SMILES notation for 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid?

The canonical SMILES for 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid is CCC.CN(C)c1ccn2cc(-c3ccc(Br)cc3)nc2c1.CN(C)c1ccn2cc(-c3ccc(N4CCC(CC=O)CC4)cc3)nc2c1.CN(C)c1ccn2cc(-c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)nc2c1.CN(C)c1ccnc(N)c1.COC(CC1CCN(c2ccc(-c3cn4ccc(N(C)C)cc4n3)cc2)CC1)OC.COC(CC1CCNCC1)OC.Nc1cc(Cl)ccn1.O=C(CBr)c1ccc(Br)cc1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=S(=O)(O)O.

What is the InChIKey of 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid?

The InChIKey is DWOSEOSLJQXSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N8O4.C24H32N4O2.C22H26N4O.C17H18N4O4.C15H14BrN3.C9H19NO2.C8H6Br2O.C7H11N3.C5H5ClN2.C3H8.H2O4S/c1-42(2)29-14-18-46-25-33(40-35(46)24-29)27-3-5-28(6-4-27)44-16-12-26(13-17-44)11-15-43-19-21-45(22-20-43)30-7-8-31-32(23-30)39(51)47(38(31)50)34-9-10-36(48)41-37(34)49;1-26(2)21-11-14-28-17-22(25-23(28)16-21)19-5-7-20(8-6-19)27-12-9-18(10-13-27)15-24(29-3)30-4;1-24(2)20-9-13-26-16-21(23-22(26)15-20)18-3-5-19(6-4-18)25-11-7-17(8-12-25)10-14-27;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-18(2)13-7-8-19-10-14(17-15(19)9-13)11-3-5-12(16)6-4-11;1-11-9(12-2)7-8-3-5-10-6-4-8;9-5-8(11)6-1-3-7(10)4-2-6;1-10(2)6-3-4-9-7(8)5-6;6-4-1-2-8-5(7)3-4;1-3-2;1-5(2,3)4/h3-8,14,18,23-26,34H,9-13,15-17,19-22H2,1-2H3,(H,41,48,49);5-8,11,14,16-18,24H,9-10,12-13,15H2,1-4H3;3-6,9,13-17H,7-8,10-12H2,1-2H3;1-2,9,13,18H,3-8H2,(H,19,22,23);3-10H,1-2H3;8-10H,3-7H2,1-2H3;1-4H,5H2;3-5H,1-2H3,(H2,8,9);1-3H,(H2,7,8);3H2,1-2H3;(H2,1,2,3,4).

What are the key properties of 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid?

2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid has a molecular weight of 2977.54 g/mol, XLogP of 22.22, 31 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-bromophenyl)ethanone;2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;4-chloropyridin-2-amine;4-(2,2-dimethoxyethyl)piperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]phenyl]-N,N-dimethylimidazo[1,2-a]pyridin-7-amine;2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-N,4-N-dimethylpyridine-2,4-diamine;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;propane;sulfuric acid is sourced from PubChem (CID 167552867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).