7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine

C136H143Cl4F12N11O11S4 — CID 160601898

About 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine

7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 160601898) has the molecular formula C136H143Cl4F12N11O11S4 and a molecular weight of 2605.76 g/mol. Its IUPAC name is 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine
• PubChem CID: 160601898
• Molecular Formula: C136H143Cl4F12N11O11S4
• Molecular Weight: 2605.76 g/mol
• Exact Mass: 2601.84
• IUPAC Name: 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine
• SMILES: COCCOCCOCCOCCOc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2CCCc3nc(SCc4c(F)cc(OCC#N)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(OCCOCCOCCN(C)C)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)ccc(OCCOCCCCCN(C)C)c4F)n(-c4ccc(F)cc4)c32)ccc1Cl
• InChI: InChI=1S/C36H41ClF3N3O2S.C36H40ClF3N2O5S.C35H39ClF3N3O3S.C29H23ClF3N3OS/c1-24-22-25(10-15-30(24)37)28-8-7-9-32-35(28)43(27-13-11-26(38)12-14-27)36(41-32)46-23-29-31(39)16-17-33(34(29)40)45-21-20-44-19-6-4-5-18-42(2)3;1-24-20-25(6-11-31(24)37)29-4-3-5-34-35(29)42(27-9-7-26(38)8-10-27)36(41-34)48-23-30-32(39)21-28(22-33(30)40)47-19-18-46-17-16-45-15-14-44-13-12-43-2;1-23-19-24(7-12-30(23)36)28-5-4-6-33-34(28)42(26-10-8-25(37)9-11-26)35(40-33)46-22-29-31(38)20-27(21-32(29)39)45-18-17-44-16-15-43-14-13-41(2)3;1-17-13-18(5-10-24(17)30)22-3-2-4-27-28(22)36(20-8-6-19(31)7-9-20)29(35-27)38-16-23-25(32)14-21(15-26(23)33)37-12-11-34/h10-17,22,28H,4-9,18-21,23H2,1-3H3;6-11,20-22,29H,3-5,12-19,23H2,1-2H3;7-12,19-21,28H,4-6,13-18,22H2,1-3H3;5-10,13-15,22H,2-4,12,16H2,1H3
• InChIKey: REJOZVQNDIGLSY-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 203.08 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 55
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.76
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine?

The IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine (CID 160601898) is 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine.

What is the SMILES notation for 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine?

The canonical SMILES for 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine is COCCOCCOCCOCCOc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2CCCc3nc(SCc4c(F)cc(OCC#N)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(OCCOCCOCCN(C)C)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)ccc(OCCOCCCCCN(C)C)c4F)n(-c4ccc(F)cc4)c32)ccc1Cl.

What is the InChIKey of 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine?

The InChIKey is REJOZVQNDIGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41ClF3N3O2S.C36H40ClF3N2O5S.C35H39ClF3N3O3S.C29H23ClF3N3OS/c1-24-22-25(10-15-30(24)37)28-8-7-9-32-35(28)43(27-13-11-26(38)12-14-27)36(41-32)46-23-29-31(39)16-17-33(34(29)40)45-21-20-44-19-6-4-5-18-42(2)3;1-24-20-25(6-11-31(24)37)29-4-3-5-34-35(29)42(27-9-7-26(38)8-10-27)36(41-34)48-23-30-32(39)21-28(22-33(30)40)47-19-18-46-17-16-45-15-14-44-13-12-43-2;1-23-19-24(7-12-30(23)36)28-5-4-6-33-34(28)42(26-10-8-25(37)9-11-26)35(40-33)46-22-29-31(38)20-27(21-32(29)39)45-18-17-44-16-15-43-14-13-41(2)3;1-17-13-18(5-10-24(17)30)22-3-2-4-27-28(22)36(20-8-6-19(31)7-9-20)29(35-27)38-16-23-25(32)14-21(15-26(23)33)37-12-11-34/h10-17,22,28H,4-9,18-21,23H2,1-3H3;6-11,20-22,29H,3-5,12-19,23H2,1-2H3;7-12,19-21,28H,4-6,13-18,22H2,1-3H3;5-10,13-15,22H,2-4,12,16H2,1H3.

What are the key properties of 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine?

7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 2605.76 g/mol, XLogP of 33.13, 55 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole;2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]acetonitrile;5-[2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]ethoxy]-N,N-dimethylpentan-1-amine;2-[2-[2-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]ethoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 160601898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).