4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide

C111H121Br2Cl2N17O15P2 — CID 160908379

About 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide

4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide (PubChem CID 160908379) has the molecular formula C111H121Br2Cl2N17O15P2 and a molecular weight of 2225.95 g/mol. Its IUPAC name is 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide
• PubChem CID: 160908379
• Molecular Formula: C111H121Br2Cl2N17O15P2
• Molecular Weight: 2225.95 g/mol
• Exact Mass: 2221.64
• IUPAC Name: 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide
• SMILES: CCN(CCP(=O)(O)O)c1ccc(-c2[nH]c(-c3cc(Br)c(O)c(Br)c3)nc2-c2ccc(N(C)CCP(=O)(O)O)cc2)cc1.CN(C)c1ccc(-c2nc(-c3cc(Cl)c(O)c(Cl)c3)[nH]c2-c2ccc(N(C)C)cc2)cc1.CNC(=O)c1cc(N(C)C)ccc1-c1[nH]c(-c2cc(C)c(O)c(C)c2)nc1-c1ccc(N(C)C)cc1.COc1cc(-c2nc(-c3ccc(N(C)C)cc3NC(C)=O)c(-c3ccc(N(C)C)cc3)o2)cc(OC)c1O
• InChI: InChI=1S/C29H33N5O2.C29H32N4O5.C28H32Br2N4O7P2.C25H24Cl2N4O/c1-17-14-20(15-18(2)27(17)35)28-31-25(19-8-10-21(11-9-19)33(4)5)26(32-28)23-13-12-22(34(6)7)16-24(23)29(36)30-3;1-17(34)30-23-16-21(33(4)5)12-13-22(23)26-28(18-8-10-20(11-9-18)32(2)3)38-29(31-26)19-14-24(36-6)27(35)25(15-19)37-7;1-3-34(13-15-43(39,40)41)22-10-6-19(7-11-22)26-25(31-28(32-26)20-16-23(29)27(35)24(30)17-20)18-4-8-21(9-5-18)33(2)12-14-42(36,37)38;1-30(2)18-9-5-15(6-10-18)22-23(16-7-11-19(12-8-16)31(3)4)29-25(28-22)17-13-20(26)24(32)21(27)14-17/h8-16,35H,1-7H3,(H,30,36)(H,31,32);8-16,35H,1-7H3,(H,30,34);4-11,16-17,35H,3,12-15H2,1-2H3,(H,31,32)(H2,36,37,38)(H2,39,40,41);5-14,32H,1-4H3,(H,28,29)
• InChIKey: SQLFPRPFQMCWRZ-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 410.63 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.95
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide?

The IUPAC name of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide (CID 160908379) is 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide.

What is the SMILES notation for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide?

The canonical SMILES for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide is CCN(CCP(=O)(O)O)c1ccc(-c2[nH]c(-c3cc(Br)c(O)c(Br)c3)nc2-c2ccc(N(C)CCP(=O)(O)O)cc2)cc1.CN(C)c1ccc(-c2nc(-c3cc(Cl)c(O)c(Cl)c3)[nH]c2-c2ccc(N(C)C)cc2)cc1.CNC(=O)c1cc(N(C)C)ccc1-c1[nH]c(-c2cc(C)c(O)c(C)c2)nc1-c1ccc(N(C)C)cc1.COc1cc(-c2nc(-c3ccc(N(C)C)cc3NC(C)=O)c(-c3ccc(N(C)C)cc3)o2)cc(OC)c1O.

What is the InChIKey of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide?

The InChIKey is SQLFPRPFQMCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2.C29H32N4O5.C28H32Br2N4O7P2.C25H24Cl2N4O/c1-17-14-20(15-18(2)27(17)35)28-31-25(19-8-10-21(11-9-19)33(4)5)26(32-28)23-13-12-22(34(6)7)16-24(23)29(36)30-3;1-17(34)30-23-16-21(33(4)5)12-13-22(23)26-28(18-8-10-20(11-9-18)32(2)3)38-29(31-26)19-14-24(36-6)27(35)25(15-19)37-7;1-3-34(13-15-43(39,40)41)22-10-6-19(7-11-22)26-25(31-28(32-26)20-16-23(29)27(35)24(30)17-20)18-4-8-21(9-5-18)33(2)12-14-42(36,37)38;1-30(2)18-9-5-15(6-10-18)22-23(16-7-11-19(12-8-16)31(3)4)29-25(28-22)17-13-20(26)24(32)21(27)14-17/h8-16,35H,1-7H3,(H,30,36)(H,31,32);8-16,35H,1-7H3,(H,30,34);4-11,16-17,35H,3,12-15H2,1-2H3,(H,31,32)(H2,36,37,38)(H2,39,40,41);5-14,32H,1-4H3,(H,28,29).

What are the key properties of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide?

4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide has a molecular weight of 2225.95 g/mol, XLogP of 23.53, 31 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dichlorophenol;2-[4-[2-(3,5-dibromo-4-hydroxyphenyl)-5-[4-[ethyl(2-phosphonoethyl)amino]phenyl]-1H-imidazol-4-yl]-N-methylanilino]ethylphosphonic acid;N-[5-(dimethylamino)-2-[5-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]phenyl]acetamide;5-(dimethylamino)-2-[4-[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylbenzamide is sourced from PubChem (CID 160908379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).