5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine

C156H147Cl5F15N21O3S6 — CID 162239904

IUPAC5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CC5SC(=O)NC5=O)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCN=C(N)N)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCO)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.[C-]#[N+]N/C(N)=N/CCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1
InChIInChI=1S/C32H30ClF3N6S.C32H33ClF3N5S.C31H31ClF3N5S.C31H25ClF3N3O2S2.C30H28ClF3N2OS/c1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)42(23-11-9-22(34)10-12-23)32(40-29)43-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)41-38-2;1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)41(23-11-9-22(34)10-12-23)32(40-29)42-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)38-2;1-18-14-20(7-12-25(18)32)23-5-2-6-28-29(23)40(22-10-8-21(33)9-11-22)31(39-28)41-17-24-26(34)15-19(16-27(24)35)4-3-13-38-30(36)37;1-16-11-18(5-10-23(16)32)21-3-2-4-26-28(21)38(20-8-6-19(33)7-9-20)30(36-26)41-15-22-24(34)12-17(13-25(22)35)14-27-29(39)37-31(40)42-27;1-18-14-20(7-12-25(18)31)23-5-2-6-28-29(23)36(22-10-8-21(32)9-11-22)30(35-28)38-17-24-26(33)15-19(4-3-13-37)16-27(24)34/h8-13,15-17,24H,3-7,14,18H2,1H3,(H3,37,39,41);8-13,15-17,24H,3-7,14,18H2,1-2H3,(H3,37,38,39);7-12,14-16,23H,2-6,13,17H2,1H3,(H4,36,37,38);5-13,21,27H,2-4,14-15H2,1H3,(H,37,39,40);7-12,14-16,23,37H,2-6,13,17H2,1H3
InChIKeyZWODQVGNPRXDQY-UHFFFAOYSA-N
MW3018.67 g/mol
LogP38.22
Rot. Bonds42

About 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine

5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine (PubChem CID 162239904) has the molecular formula C156H147Cl5F15N21O3S6 and a molecular weight of 3018.67 g/mol. Its IUPAC name is 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine.

Molecular Properties

Compound Name5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine
PubChem CID162239904
Molecular FormulaC156H147Cl5F15N21O3S6
Molecular Weight3018.67 g/mol
Exact Mass3013.85
IUPAC Name5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CC5SC(=O)NC5=O)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCN=C(N)N)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCO)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.[C-]#[N+]N/C(N)=N/CCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1
InChIInChI=1S/C32H30ClF3N6S.C32H33ClF3N5S.C31H31ClF3N5S.C31H25ClF3N3O2S2.C30H28ClF3N2OS/c1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)42(23-11-9-22(34)10-12-23)32(40-29)43-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)41-38-2;1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)41(23-11-9-22(34)10-12-23)32(40-29)42-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)38-2;1-18-14-20(7-12-25(18)32)23-5-2-6-28-29(23)40(22-10-8-21(33)9-11-22)31(39-28)41-17-24-26(34)15-19(16-27(24)35)4-3-13-38-30(36)37;1-16-11-18(5-10-23(16)32)21-3-2-4-26-28(21)38(20-8-6-19(33)7-9-20)30(36-26)41-15-22-24(34)12-17(13-25(22)35)14-27-29(39)37-31(40)42-27;1-18-14-20(7-12-25(18)31)23-5-2-6-28-29(23)36(22-10-8-21(32)9-11-22)30(35-28)38-17-24-26(33)15-19(4-3-13-37)16-27(24)34/h8-13,15-17,24H,3-7,14,18H2,1H3,(H3,37,39,41);8-13,15-17,24H,3-7,14,18H2,1-2H3,(H3,37,38,39);7-12,14-16,23H,2-6,13,17H2,1H3,(H4,36,37,38);5-13,21,27H,2-4,14-15H2,1H3,(H,37,39,40);7-12,14-16,23,37H,2-6,13,17H2,1H3
InChIKeyZWODQVGNPRXDQY-UHFFFAOYSA-N
XLogP38.22
TPSA325.08 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003018.67
LogP ≤ 538.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine with MolForge

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Related Compounds

1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine
CID 126503302
3-[4-[[7-(4-chloro-3-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-N,N-dimethylpropan-1-amine;1-[3-[4-[[7-(4-chloro-3-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine;hydrochloride
CID 158935170
2-[3-[4-[[7-(4-chloro-3-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-cyanoguanidine;hydrochloride
CID 126505880
5-[[4-[[7-(4-chloro-3-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 126505084
4-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]butan-2-one
CID 126503111
7-(4-chloro-3-methylphenyl)-2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole
CID 126503233
7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-[2-(4H-triazol-5-yl)ethyl]phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole
CID 159674296
7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(2H-triazol-4-ylmethoxy)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazole
CID 157129848
3,5-difluoro-4-[[7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]benzoic acid
CID 126503150
2-[3-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-2,4-difluorophenoxy]-N,N-dimethylethanamine
CID 126503096
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-chloro-3-methylphenyl)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydrobenzimidazole
CID 126503090
4-[[7-(4-chloro-3-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorobenzaldehyde
CID 118464736

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine?
The IUPAC name of 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine (CID 162239904) is 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine.
What is the SMILES notation for 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine?
The canonical SMILES for 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine is C/N=C(\N)NCCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CC5SC(=O)NC5=O)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCN=C(N)N)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2CCCc3nc(SCc4c(F)cc(CCCO)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.[C-]#[N+]N/C(N)=N/CCCc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.
What is the InChIKey of 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine?
The InChIKey is ZWODQVGNPRXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N6S.C32H33ClF3N5S.C31H31ClF3N5S.C31H25ClF3N3O2S2.C30H28ClF3N2OS/c1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)42(23-11-9-22(34)10-12-23)32(40-29)43-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)41-38-2;1-19-15-21(8-13-26(19)33)24-6-3-7-29-30(24)41(23-11-9-22(34)10-12-23)32(40-29)42-18-25-27(35)16-20(17-28(25)36)5-4-14-39-31(37)38-2;1-18-14-20(7-12-25(18)32)23-5-2-6-28-29(23)40(22-10-8-21(33)9-11-22)31(39-28)41-17-24-26(34)15-19(16-27(24)35)4-3-13-38-30(36)37;1-16-11-18(5-10-23(16)32)21-3-2-4-26-28(21)38(20-8-6-19(33)7-9-20)30(36-26)41-15-22-24(34)12-17(13-25(22)35)14-27-29(39)37-31(40)42-27;1-18-14-20(7-12-25(18)31)23-5-2-6-28-29(23)36(22-10-8-21(32)9-11-22)30(35-28)38-17-24-26(33)15-19(4-3-13-37)16-27(24)34/h8-13,15-17,24H,3-7,14,18H2,1H3,(H3,37,39,41);8-13,15-17,24H,3-7,14,18H2,1-2H3,(H3,37,38,39);7-12,14-16,23H,2-6,13,17H2,1H3,(H4,36,37,38);5-13,21,27H,2-4,14-15H2,1H3,(H,37,39,40);7-12,14-16,23,37H,2-6,13,17H2,1H3.
What are the key properties of 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine?
5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine has a molecular weight of 3018.67 g/mol, XLogP of 38.22, 42 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propan-1-ol;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]guanidine;2-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-1-isocyanoguanidine;1-[3-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]propyl]-2-methylguanidine is sourced from PubChem (CID 162239904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).