2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid

C183H128N26O55S15 — CID 160787071

IUPAC2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid
SMILESCc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(/C=C/c3nc4ccc(S(=O)(=O)O)cc4o3)oc2c1.O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cccc5[nH]4)cc3)[nH]c2c1.O=S(=O)(O)c1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1
InChIInChI=1S/C21H16N4O9S3.C21H16N4O3S.C21H16N4.C21H14N2O11S3.C21H14N2O8S2.C21H14N2O5S.C20H14N4O9S3.C20H12N2O5S.C17H12N2O5S/c1-10-6-14-18(16(7-10)36(29,30)31)24-20(22-14)11-2-4-12(5-3-11)21-23-15-8-13(35(26,27)28)9-17(19(15)25-21)37(32,33)34;1-12-2-8-16-18(10-12)24-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(26,27)28)11-19(17)25-21;1-13-6-11-18-19(12-13)25-21(24-18)15-9-7-14(8-10-15)20-22-16-4-2-3-5-17(16)23-20;1-10-6-14-18(16(7-10)36(27,28)29)22-20(33-14)11-2-4-12(5-3-11)21-23-19-15(34-21)8-13(35(24,25)26)9-17(19)37(30,31)32;1-11-2-7-15-16(8-11)30-20(22-15)12-3-5-13(6-4-12)21-23-19-17(31-21)9-14(32(24,25)26)10-18(19)33(27,28)29;1-12-2-8-16-18(10-12)27-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(24,25)26)11-19(17)28-21;25-34(26,27)12-8-14-18(16(9-12)36(31,32)33)24-20(22-14)11-6-4-10(5-7-11)19-21-13-2-1-3-15(17(13)23-19)35(28,29)30;23-28(24,25)14-9-10-16-18(11-14)27-20(22-16)13-7-5-12(6-8-13)19-21-15-3-1-2-4-17(15)26-19;1-10-2-4-12-14(8-10)23-16(18-12)6-7-17-19-13-5-3-11(25(20,21)22)9-15(13)24-17/h2-9H,1H3,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);2-11H,1H3,(H,22,24)(H,23,25)(H,26,27,28);2-12H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2-10H,1H3,(H,24,25,26)(H,27,28,29);2-11H,1H3,(H,24,25,26);1-9H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);1-11H,(H,23,24,25);2-9H,1H3,(H,20,21,22)/b;;;;;;;;7-6+
InChIKeySBIRJIMRPMGTFF-OUXYLLQVSA-N
MW4052.17 g/mol
LogP35.30
Rot. Bonds33

About 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid

2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid (PubChem CID 160787071) has the molecular formula C183H128N26O55S15 and a molecular weight of 4052.17 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid
PubChem CID160787071
Molecular FormulaC183H128N26O55S15
Molecular Weight4052.17 g/mol
Exact Mass4048.38
IUPAC Name2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid
SMILESCc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(/C=C/c3nc4ccc(S(=O)(=O)O)cc4o3)oc2c1.O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cccc5[nH]4)cc3)[nH]c2c1.O=S(=O)(O)c1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1
InChIInChI=1S/C21H16N4O9S3.C21H16N4O3S.C21H16N4.C21H14N2O11S3.C21H14N2O8S2.C21H14N2O5S.C20H14N4O9S3.C20H12N2O5S.C17H12N2O5S/c1-10-6-14-18(16(7-10)36(29,30)31)24-20(22-14)11-2-4-12(5-3-11)21-23-15-8-13(35(26,27)28)9-17(19(15)25-21)37(32,33)34;1-12-2-8-16-18(10-12)24-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(26,27)28)11-19(17)25-21;1-13-6-11-18-19(12-13)25-21(24-18)15-9-7-14(8-10-15)20-22-16-4-2-3-5-17(16)23-20;1-10-6-14-18(16(7-10)36(27,28)29)22-20(33-14)11-2-4-12(5-3-11)21-23-19-15(34-21)8-13(35(24,25)26)9-17(19)37(30,31)32;1-11-2-7-15-16(8-11)30-20(22-15)12-3-5-13(6-4-12)21-23-19-17(31-21)9-14(32(24,25)26)10-18(19)33(27,28)29;1-12-2-8-16-18(10-12)27-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(24,25)26)11-19(17)28-21;25-34(26,27)12-8-14-18(16(9-12)36(31,32)33)24-20(22-14)11-6-4-10(5-7-11)19-21-13-2-1-3-15(17(13)23-19)35(28,29)30;23-28(24,25)14-9-10-16-18(11-14)27-20(22-16)13-7-5-12(6-8-13)19-21-15-3-1-2-4-17(15)26-19;1-10-2-4-12-14(8-10)23-16(18-12)6-7-17-19-13-5-3-11(25(20,21)22)9-15(13)24-17/h2-9H,1H3,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);2-11H,1H3,(H,22,24)(H,23,25)(H,26,27,28);2-12H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2-10H,1H3,(H,24,25,26)(H,27,28,29);2-11H,1H3,(H,24,25,26);1-9H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);1-11H,(H,23,24,25);2-9H,1H3,(H,20,21,22)/b;;;;;;;;7-6+
InChIKeySBIRJIMRPMGTFF-OUXYLLQVSA-N
XLogP35.30
TPSA1305.29 Ų
H-Bond Donors23
H-Bond Acceptors58
Rotatable Bonds33
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004052.17
LogP ≤ 535.30
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1058

Analyze 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid with MolForge

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Related Compounds

2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid
CID 9956395
2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 20643405
1-(2-ethylhexyl)-2-[4-[1-(2-ethylhexyl)-6-methyl-4-sulfobenzimidazol-2-yl]phenyl]benzimidazole-4,6-disulfonic acid;2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4,6-disulfonic acid
CID 90725972
1-(2-ethylhexyl)-2-[4-[1-(2-ethylhexyl)-6-methyl-4-sulfobenzimidazol-2-yl]phenyl]-6-methylbenzimidazole-4-sulfonic acid;6-methyl-2-[(E)-2-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-4-sulfonic acid
CID 90739323
2-[4-(6-Methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid
CID 91239282
2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3H-indole-6-sulfonic acid;2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;bis(2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid);bis(2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid);2-[4-(4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;octakis(sulfur trioxide)
CID 157125956
benzene;ethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfonylmethane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 157681414
2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole
CID 158093267
benzene;ethane;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfonylmethane;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 158119371
benzene;ethane;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfonylmethane;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 158226192
3-benzyl-2-[5-(1-benzyl-6-methylbenzimidazol-2-yl)furan-2-yl]benzimidazole-5-sulfonic acid;[3-benzyl-2-[4-(1-benzyl-6-sulfobenzimidazol-2-yl)phenyl]benzimidazol-5-yl] sulfite;2-ethyl-1H-benzimidazole;2-ethyl-1,3-benzoxazole;2-(3-ethylheptyl)-1H-benzimidazole;2-(3-ethylheptyl)-1,3-benzoxazole;2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-3H-benzimidazole-5-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)-2-nitrophenyl]-3H-benzimidazole-5-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 158627846
dodecasodium;2-N,4-N-bis[4-(2-phenylethenyl)benzene-5-id-1-yl]-1,3,5-triazine-2,4-diamine;5-methyl-2-[2-(5-methyl-6-oxidoperoxysulfanyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonate;2-[2-(6-oxidoperoxysulfanyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-sulfonate;2-[4-(6-oxidoperoxysulfanyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-sulfonate;2-[5-(6-oxidoperoxysulfanyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole-5-sulfonate;tetrakis(sulfur trioxide)
CID 158751967

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid (CID 160787071) is 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid is Cc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(S(=O)(=O)O)cc5o4)cc3)oc2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]c2c1.Cc1ccc2nc(/C=C/c3nc4ccc(S(=O)(=O)O)cc4o3)oc2c1.O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cccc5[nH]4)cc3)[nH]c2c1.O=S(=O)(O)c1ccc2nc(-c3ccc(-c4nc5ccccc5o4)cc3)oc2c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid?
The InChIKey is SBIRJIMRPMGTFF-OUXYLLQVSA-N. The full InChI is InChI=1S/C21H16N4O9S3.C21H16N4O3S.C21H16N4.C21H14N2O11S3.C21H14N2O8S2.C21H14N2O5S.C20H14N4O9S3.C20H12N2O5S.C17H12N2O5S/c1-10-6-14-18(16(7-10)36(29,30)31)24-20(22-14)11-2-4-12(5-3-11)21-23-15-8-13(35(26,27)28)9-17(19(15)25-21)37(32,33)34;1-12-2-8-16-18(10-12)24-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(26,27)28)11-19(17)25-21;1-13-6-11-18-19(12-13)25-21(24-18)15-9-7-14(8-10-15)20-22-16-4-2-3-5-17(16)23-20;1-10-6-14-18(16(7-10)36(27,28)29)22-20(33-14)11-2-4-12(5-3-11)21-23-19-15(34-21)8-13(35(24,25)26)9-17(19)37(30,31)32;1-11-2-7-15-16(8-11)30-20(22-15)12-3-5-13(6-4-12)21-23-19-17(31-21)9-14(32(24,25)26)10-18(19)33(27,28)29;1-12-2-8-16-18(10-12)27-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(24,25)26)11-19(17)28-21;25-34(26,27)12-8-14-18(16(9-12)36(31,32)33)24-20(22-14)11-6-4-10(5-7-11)19-21-13-2-1-3-15(17(13)23-19)35(28,29)30;23-28(24,25)14-9-10-16-18(11-14)27-20(22-16)13-7-5-12(6-8-13)19-21-15-3-1-2-4-17(15)26-19;1-10-2-4-12-14(8-10)23-16(18-12)6-7-17-19-13-5-3-11(25(20,21)22)9-15(13)24-17/h2-9H,1H3,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);2-11H,1H3,(H,22,24)(H,23,25)(H,26,27,28);2-12H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2-10H,1H3,(H,24,25,26)(H,27,28,29);2-11H,1H3,(H,24,25,26);1-9H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);1-11H,(H,23,24,25);2-9H,1H3,(H,20,21,22)/b;;;;;;;;7-6+.
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid?
2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid has a molecular weight of 4052.17 g/mol, XLogP of 35.30, 33 rotatable bonds, 23 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[(E)-2-(6-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(6-methyl-4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid is sourced from PubChem (CID 160787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).