7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone

C124H116Cl4F12N10O4S4 — CID 161204544

About 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone

7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone (PubChem CID 161204544) has the molecular formula C124H116Cl4F12N10O4S4 and a molecular weight of 2308.41 g/mol. Its IUPAC name is 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone
• PubChem CID: 161204544
• Molecular Formula: C124H116Cl4F12N10O4S4
• Molecular Weight: 2308.41 g/mol
• Exact Mass: 2304.66
• IUPAC Name: 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone
• SMILES: CCCOc1ccc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c1F.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)N(C)C)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)N5CCOCC5)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)ccc(C)c4F)n(-c4ccc(F)cc4)c32)ccc1Cl
• InChI: InChI=1S/C33H31ClF3N3O2S.C31H29ClF3N3OS.C31H30ClF3N2OS.C29H26ClF3N2S/c1-20-16-22(5-10-26(20)34)33(2)11-3-4-29-30(33)40(24-8-6-23(35)7-9-24)32(38-29)43-19-25-27(36)17-21(18-28(25)37)31(41)39-12-14-42-15-13-39;1-18-14-20(7-12-24(18)32)31(2)13-5-6-27-28(31)38(22-10-8-21(33)9-11-22)30(36-27)40-17-23-25(34)15-19(16-26(23)35)29(39)37(3)4;1-4-16-38-27-14-13-25(34)23(28(27)35)18-39-30-36-26-6-5-15-31(3,20-7-12-24(32)19(2)17-20)29(26)37(30)22-10-8-21(33)9-11-22;1-17-6-13-24(32)22(26(17)33)16-36-28-34-25-5-4-14-29(3,19-7-12-23(30)18(2)15-19)27(25)35(28)21-10-8-20(31)9-11-21/h5-10,16-18H,3-4,11-15,19H2,1-2H3;7-12,14-16H,5-6,13,17H2,1-4H3;7-14,17H,4-6,15-16,18H2,1-3H3;6-13,15H,4-5,14,16H2,1-3H3
• InChIKey: UVKOVGXADYCVKZ-UHFFFAOYSA-N
• XLogP: 33.02
• TPSA: 130.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2308.41
LogP ≤ 5	33.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone?

The IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone (CID 161204544) is 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone?

The canonical SMILES for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone is CCCOc1ccc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c1F.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)N(C)C)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)N5CCOCC5)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)ccc(C)c4F)n(-c4ccc(F)cc4)c32)ccc1Cl.

What is the InChIKey of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone?

The InChIKey is UVKOVGXADYCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClF3N3O2S.C31H29ClF3N3OS.C31H30ClF3N2OS.C29H26ClF3N2S/c1-20-16-22(5-10-26(20)34)33(2)11-3-4-29-30(33)40(24-8-6-23(35)7-9-24)32(38-29)43-19-25-27(36)17-21(18-28(25)37)31(41)39-12-14-42-15-13-39;1-18-14-20(7-12-24(18)32)31(2)13-5-6-27-28(31)38(22-10-8-21(33)9-11-22)30(36-27)40-17-23-25(34)15-19(16-26(23)35)29(39)37(3)4;1-4-16-38-27-14-13-25(34)23(28(27)35)18-39-30-36-26-6-5-15-31(3,20-7-12-24(32)19(2)17-20)29(26)37(30)22-10-8-21(33)9-11-22;1-17-6-13-24(32)22(26(17)33)16-36-28-34-25-5-4-14-29(3,19-7-12-23(30)18(2)15-19)27(25)35(28)21-10-8-20(31)9-11-21/h5-10,16-18H,3-4,11-15,19H2,1-2H3;7-12,14-16H,5-6,13,17H2,1-4H3;7-14,17H,4-6,15-16,18H2,1-3H3;6-13,15H,4-5,14,16H2,1-3H3.

What are the key properties of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone?

7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 2308.41 g/mol, XLogP of 33.02, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-3-propoxyphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N,N-dimethylbenzamide;[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161204544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).