1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium

C92H107F9N12O17S5 — CID 159163843

IUPAC1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium
SMILESCCC(C)(C)OC(=O)n1cnc2ccccc21.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C(=O)OC(C)(C)C.O=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2ccccc21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14N2O2S.C18H15S.2C13H16N2O2.C12H27NO5.C9H11F9N3O6S3.C8H8N2/c22-24(23,16-11-5-2-6-12-16)21-18-14-8-7-13-17(18)20-19(21)15-9-3-1-4-10-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-14-10-7-5-6-8-11(10)15(9)12(16)17-13(2,3)4;1-4-13(2,3)17-12(16)15-9-14-10-7-5-6-8-11(10)15;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-6-9-7-4-2-3-5-8(7)10-6/h1-14H;1-15H;5-8H,1-4H3;5-9H,4H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3;2-5H,1H3,(H,9,10)/q;+1;;;;-1;
InChIKeyKKVCFZUZGXJOLH-UHFFFAOYSA-N
MW1984.25 g/mol
LogP17.21
Rot. Bonds29

About 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium

1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium (PubChem CID 159163843) has the molecular formula C92H107F9N12O17S5 and a molecular weight of 1984.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium
PubChem CID159163843
Molecular FormulaC92H107F9N12O17S5
Molecular Weight1984.25 g/mol
Exact Mass1982.63
IUPAC Name1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium
SMILESCCC(C)(C)OC(=O)n1cnc2ccccc21.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C(=O)OC(C)(C)C.O=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2ccccc21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14N2O2S.C18H15S.2C13H16N2O2.C12H27NO5.C9H11F9N3O6S3.C8H8N2/c22-24(23,16-11-5-2-6-12-16)21-18-14-8-7-13-17(18)20-19(21)15-9-3-1-4-10-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-14-10-7-5-6-8-11(10)15(9)12(16)17-13(2,3)4;1-4-13(2,3)17-12(16)15-9-14-10-7-5-6-8-11(10)15;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-6-9-7-4-2-3-5-8(7)10-6/h1-14H;1-15H;5-8H,1-4H3;5-9H,4H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3;2-5H,1H3,(H,9,10)/q;+1;;;;-1;
InChIKeyKKVCFZUZGXJOLH-UHFFFAOYSA-N
XLogP17.21
TPSA363.27 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.25
LogP ≤ 517.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium with MolForge

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Related Compounds

benzhydrylbenzene;2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;2,2,3,3,4,4,4-heptafluoro-N-(trifluoromethylsulfonyl)butanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 158202841
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;difluoro-(4-methylpiperazin-1-yl)sulfonylmethanesulfonate;2,6-di(propan-2-yl)aniline;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 158319684
[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tetrabutylazanium;triphenylsulfanium;hydroxide
CID 159240840
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 159543821
N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 160669530
N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium
CID 161288255
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;2,2,3,3,4,4,4-heptafluoro-N-(trifluoromethylsulfonyl)butanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 161319182

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium?
The IUPAC name of 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium (CID 159163843) is 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium.
What is the SMILES notation for 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium?
The canonical SMILES for 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium is CCC(C)(C)OC(=O)n1cnc2ccccc21.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C(=O)OC(C)(C)C.O=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2ccccc21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium?
The InChIKey is KKVCFZUZGXJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S.C18H15S.2C13H16N2O2.C12H27NO5.C9H11F9N3O6S3.C8H8N2/c22-24(23,16-11-5-2-6-12-16)21-18-14-8-7-13-17(18)20-19(21)15-9-3-1-4-10-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-14-10-7-5-6-8-11(10)15(9)12(16)17-13(2,3)4;1-4-13(2,3)17-12(16)15-9-14-10-7-5-6-8-11(10)15;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;1-6-9-7-4-2-3-5-8(7)10-6/h1-14H;1-15H;5-8H,1-4H3;5-9H,4H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3;2-5H,1H3,(H,9,10)/q;+1;;;;-1;.
What are the key properties of 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium?
1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium has a molecular weight of 1984.25 g/mol, XLogP of 17.21, 29 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium is sourced from PubChem (CID 159163843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).