N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid

C199H174F21N23O24S6 — CID 157137570

IUPACN-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2NC(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)n(-c4ccccc4)c3c2)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2CCC(C)C.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)c2c1.O=C(O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C38H31F3N4O4S.C35H30F6N4O4S.2C33H29F3N4O4S.C33H37F3N4O4S.C27H18F3N3O4S/c1-37(2,3)27-19-16-24(17-20-27)36(47)44-50(48,49)33-15-8-7-14-31(33)43-35(46)26-18-21-30-32(23-26)45(29-12-5-4-6-13-29)34(42-30)25-10-9-11-28(22-25)38(39,40)41;1-3-4-5-10-31(46)44-50(48,49)30-9-7-6-8-27(30)43-33(47)22-11-16-29-28(20-22)42-32(23-17-21(2)18-25(19-23)35(39,40)41)45(29)26-14-12-24(13-15-26)34(36,37)38;1-2-3-5-17-30(41)39-45(43,44)29-16-9-8-15-27(29)38-32(42)23-18-19-26-28(21-23)40(25-13-6-4-7-14-25)31(37-26)22-11-10-12-24(20-22)33(34,35)36;1-2-3-5-14-30(41)39-45(43,44)29-13-9-8-12-26(29)38-32(42)23-15-20-28-27(21-23)37-31(22-10-6-4-7-11-22)40(28)25-18-16-24(17-19-25)33(34,35)36;1-5-6-7-12-30(41)39-45(43,44)29-11-9-8-10-26(29)38-32(42)23-13-14-28-27(20-23)37-31(40(28)16-15-21(2)3)24-17-22(4)18-25(19-24)33(34,35)36;28-27(29,30)18-10-13-20(14-11-18)33-23-15-12-19(16-22(23)31-25(33)17-6-2-1-3-7-17)32-38(36,37)24-9-5-4-8-21(24)26(34)35/h4-23H,1-3H3,(H,43,46)(H,44,47);6-9,11-20H,3-5,10H2,1-2H3,(H,43,47)(H,44,46);4,6-16,18-21H,2-3,5,17H2,1H3,(H,38,42)(H,39,41);4,6-13,15-21H,2-3,5,14H2,1H3,(H,38,42)(H,39,41);8-11,13-14,17-21H,5-7,12,15-16H2,1-4H3,(H,38,42)(H,39,41);1-16,32H,(H,34,35)
InChIKeyAJUMDACOIJAHME-UHFFFAOYSA-N
MW3863.08 g/mol
LogP45.68
Rot. Bonds55

About N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid

N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid (PubChem CID 157137570) has the molecular formula C199H174F21N23O24S6 and a molecular weight of 3863.08 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
PubChem CID157137570
Molecular FormulaC199H174F21N23O24S6
Molecular Weight3863.08 g/mol
Exact Mass3860.11
IUPAC NameN-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2NC(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)n(-c4ccccc4)c3c2)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2CCC(C)C.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)c2c1.O=C(O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C38H31F3N4O4S.C35H30F6N4O4S.2C33H29F3N4O4S.C33H37F3N4O4S.C27H18F3N3O4S/c1-37(2,3)27-19-16-24(17-20-27)36(47)44-50(48,49)33-15-8-7-14-31(33)43-35(46)26-18-21-30-32(23-26)45(29-12-5-4-6-13-29)34(42-30)25-10-9-11-28(22-25)38(39,40)41;1-3-4-5-10-31(46)44-50(48,49)30-9-7-6-8-27(30)43-33(47)22-11-16-29-28(20-22)42-32(23-17-21(2)18-25(19-23)35(39,40)41)45(29)26-14-12-24(13-15-26)34(36,37)38;1-2-3-5-17-30(41)39-45(43,44)29-16-9-8-15-27(29)38-32(42)23-18-19-26-28(21-23)40(25-13-6-4-7-14-25)31(37-26)22-11-10-12-24(20-22)33(34,35)36;1-2-3-5-14-30(41)39-45(43,44)29-13-9-8-12-26(29)38-32(42)23-15-20-28-27(21-23)37-31(22-10-6-4-7-11-22)40(28)25-18-16-24(17-19-25)33(34,35)36;1-5-6-7-12-30(41)39-45(43,44)29-11-9-8-10-26(29)38-32(42)23-13-14-28-27(20-23)37-31(40(28)16-15-21(2)3)24-17-22(4)18-25(19-24)33(34,35)36;28-27(29,30)18-10-13-20(14-11-18)33-23-15-12-19(16-22(23)31-25(33)17-6-2-1-3-7-17)32-38(36,37)24-9-5-4-8-21(24)26(34)35/h4-23H,1-3H3,(H,43,46)(H,44,47);6-9,11-20H,3-5,10H2,1-2H3,(H,43,47)(H,44,46);4,6-16,18-21H,2-3,5,17H2,1H3,(H,38,42)(H,39,41);4,6-13,15-21H,2-3,5,14H2,1H3,(H,38,42)(H,39,41);8-11,13-14,17-21H,5-7,12,15-16H2,1-4H3,(H,38,42)(H,39,41);1-16,32H,(H,34,35)
InChIKeyAJUMDACOIJAHME-UHFFFAOYSA-N
XLogP45.68
TPSA652.09 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds55
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003863.08
LogP ≤ 545.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
CID 91272594
N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 158596273
N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158800963
N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
CID 160625357
N-(3-acetylphenyl)-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;tert-butyl 3-[[3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carbonyl]amino]benzoate;2-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-hydroxyethyl]-3-ethyl-N-(3-methylphenyl)benzimidazole-5-carboxamide;N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-hydroxy-1-[4-(hydroxymethyl)phenyl]ethyl]benzimidazole-5-carboxamide
CID 167628529

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid (CID 157137570) is N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid is CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2NC(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)n(-c4ccccc4)c3c2)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2CCC(C)C.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)c2c1.O=C(O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?
The InChIKey is AJUMDACOIJAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31F3N4O4S.C35H30F6N4O4S.2C33H29F3N4O4S.C33H37F3N4O4S.C27H18F3N3O4S/c1-37(2,3)27-19-16-24(17-20-27)36(47)44-50(48,49)33-15-8-7-14-31(33)43-35(46)26-18-21-30-32(23-26)45(29-12-5-4-6-13-29)34(42-30)25-10-9-11-28(22-25)38(39,40)41;1-3-4-5-10-31(46)44-50(48,49)30-9-7-6-8-27(30)43-33(47)22-11-16-29-28(20-22)42-32(23-17-21(2)18-25(19-23)35(39,40)41)45(29)26-14-12-24(13-15-26)34(36,37)38;1-2-3-5-17-30(41)39-45(43,44)29-16-9-8-15-27(29)38-32(42)23-18-19-26-28(21-23)40(25-13-6-4-7-14-25)31(37-26)22-11-10-12-24(20-22)33(34,35)36;1-2-3-5-14-30(41)39-45(43,44)29-13-9-8-12-26(29)38-32(42)23-15-20-28-27(21-23)37-31(22-10-6-4-7-11-22)40(28)25-18-16-24(17-19-25)33(34,35)36;1-5-6-7-12-30(41)39-45(43,44)29-11-9-8-10-26(29)38-32(42)23-13-14-28-27(20-23)37-31(40(28)16-15-21(2)3)24-17-22(4)18-25(19-24)33(34,35)36;28-27(29,30)18-10-13-20(14-11-18)33-23-15-12-19(16-22(23)31-25(33)17-6-2-1-3-7-17)32-38(36,37)24-9-5-4-8-21(24)26(34)35/h4-23H,1-3H3,(H,43,46)(H,44,47);6-9,11-20H,3-5,10H2,1-2H3,(H,43,47)(H,44,46);4,6-16,18-21H,2-3,5,17H2,1H3,(H,38,42)(H,39,41);4,6-13,15-21H,2-3,5,14H2,1H3,(H,38,42)(H,39,41);8-11,13-14,17-21H,5-7,12,15-16H2,1-4H3,(H,38,42)(H,39,41);1-16,32H,(H,34,35).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?
N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid has a molecular weight of 3863.08 g/mol, XLogP of 45.68, 55 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 157137570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).