2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

C192H139F4N19O24S — CID 158747880

IUPAC2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCOC(=O)c1cc(C)cc2c1CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(CO)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)[nH]c2c1.N#Cc1ccccc1Oc1ccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(CO)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4OCc4ccccc4)cc3)nc12
InChIInChI=1S/C27H17N3O3.C27H20N2O3.C26H19N3O3.C25H17N3O3.C23H15F4NO2.C22H18N2O3.C21H17N3O4S.C21H16N2O3/c28-16-20-4-1-2-7-24(20)33-21-14-12-18(13-15-21)17-8-10-19(11-9-17)26-29-23-6-3-5-22(27(31)32)25(23)30-26;30-27(31)22-10-6-11-23-25(22)29-26(28-23)20-15-13-19(14-16-20)21-9-4-5-12-24(21)32-17-18-7-2-1-3-8-18;1-16-14-21(26(30)31)24-22(15-16)28-25(29-24)19-7-5-17(6-8-19)18-9-11-20(12-10-18)32-23-4-2-3-13-27-23;29-25(30)20-4-3-5-21-23(20)28-24(27-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)31-22-6-1-2-15-26-22;1-11-8-14(23(29)30-2)13-10-16(28-15(13)9-11)18-21(26)19(24)17(20(25)22(18)27)12-6-4-3-5-7-12;1-13-10-18(22(26)27)20-19(11-13)23-21(24-20)17-8-6-16(7-9-17)15-4-2-14(12-25)3-5-15;1-12-10-17(21(25)26)19-18(11-12)23-20(24-19)15-4-2-13(3-5-15)14-6-8-16(9-7-14)29(22,27)28;24-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-22-18-3-1-2-17(21(25)26)19(18)23-20/h1-15H,(H,29,30)(H,31,32);1-16H,17H2,(H,28,29)(H,30,31);2-15H,1H3,(H,28,29)(H,30,31);1-15H,(H,27,28)(H,29,30);3-9H,10H2,1-2H3;2-11,25H,12H2,1H3,(H,23,24)(H,26,27);2-11H,1H3,(H,23,24)(H,25,26)(H2,22,27,28);1-11,24H,12H2,(H,22,23)(H,25,26)
InChIKeyINCJNYUOWUELMG-UHFFFAOYSA-N
MW3204.39 g/mol
LogP42.02
Rot. Bonds36

About 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 158747880) has the molecular formula C192H139F4N19O24S and a molecular weight of 3204.39 g/mol. Its IUPAC name is 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID158747880
Molecular FormulaC192H139F4N19O24S
Molecular Weight3204.39 g/mol
Exact Mass3201.99
IUPAC Name2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCOC(=O)c1cc(C)cc2c1CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(CO)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)[nH]c2c1.N#Cc1ccccc1Oc1ccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(CO)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4OCc4ccccc4)cc3)nc12
InChIInChI=1S/C27H17N3O3.C27H20N2O3.C26H19N3O3.C25H17N3O3.C23H15F4NO2.C22H18N2O3.C21H17N3O4S.C21H16N2O3/c28-16-20-4-1-2-7-24(20)33-21-14-12-18(13-15-21)17-8-10-19(11-9-17)26-29-23-6-3-5-22(27(31)32)25(23)30-26;30-27(31)22-10-6-11-23-25(22)29-26(28-23)20-15-13-19(14-16-20)21-9-4-5-12-24(21)32-17-18-7-2-1-3-8-18;1-16-14-21(26(30)31)24-22(15-16)28-25(29-24)19-7-5-17(6-8-19)18-9-11-20(12-10-18)32-23-4-2-3-13-27-23;29-25(30)20-4-3-5-21-23(20)28-24(27-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)31-22-6-1-2-15-26-22;1-11-8-14(23(29)30-2)13-10-16(28-15(13)9-11)18-21(26)19(24)17(20(25)22(18)27)12-6-4-3-5-7-12;1-13-10-18(22(26)27)20-19(11-13)23-21(24-20)17-8-6-16(7-9-17)15-4-2-14(12-25)3-5-15;1-12-10-17(21(25)26)19-18(11-12)23-20(24-19)15-4-2-13(3-5-15)14-6-8-16(9-7-14)29(22,27)28;24-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-22-18-3-1-2-17(21(25)26)19(18)23-20/h1-15H,(H,29,30)(H,31,32);1-16H,17H2,(H,28,29)(H,30,31);2-15H,1H3,(H,28,29)(H,30,31);1-15H,(H,27,28)(H,29,30);3-9H,10H2,1-2H3;2-11,25H,12H2,1H3,(H,23,24)(H,26,27);2-11H,1H3,(H,23,24)(H,25,26)(H2,22,27,28);1-11,24H,12H2,(H,22,23)(H,25,26)
InChIKeyINCJNYUOWUELMG-UHFFFAOYSA-N
XLogP42.02
TPSA687.63 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003204.39
LogP ≤ 542.02
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid with MolForge

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Related Compounds

2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 159379483
2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 161393804
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 157079679
2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-cyanophenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-hydroxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;methane;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 157363282
2-[4-(1-benzylpyrazol-4-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-[(2-cyanophenyl)methyl]phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;1,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(4-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 157717732
2-(4-anilinophenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(benzenesulfonyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-chloro-2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(5-phenyl-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-(6-phenyl-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 158073876
CID 158177192
CID 158177192
2-[4-[4-(4-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3H-indole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-formylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 158181634
[2-[4-[3-[2-(2-benzoyloxyphenyl)-1H-imidazol-4-yl]phenyl]-1H-imidazol-2-yl]phenyl] benzoate;4-[4-[3-[4-[4-(diethylsulfamoyl)phenyl]cyclopenta-1,3-dien-1-yl]phenyl]cyclopenta-1,3-dien-1-yl]-N,N-diethylbenzenesulfonamide;3-[2-[3-[5-[3-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline;methyl 3-[2-[3-[5-(3-methoxycarbonylphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]benzoate;methyl 4-[5-[3-[2-(4-methoxycarbonylphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]benzoate;methyl 2-[5-[3-[4-(2-methoxycarbonylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzoate;molecular fluorine;4-[4-[5-[3-[2-(4-morpholin-4-ylphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]morpholine;2-(2-phenoxyphenyl)-4-[3-[5-(2-phenoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
CID 158279202
2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 158373961
2-[4-(4-cyanophenoxy)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4-cyanophenoxy)phenyl]-6-methyl-3H-indole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2-oxoazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxylic acid;methyl 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylate;6-methyl-2-(6-phenyl-3-pyridinyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-ylphenyl)-3H-indole-4-carboxylic acid;2-(4-pyridin-2-ylphenyl)-3H-indole-4-carboxylic acid
CID 158469784
6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 158752352

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 158747880) is 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is COC(=O)c1cc(C)cc2c1CC(c1c(F)c(F)c(-c3ccccc3)c(F)c1F)=N2.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(CO)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)[nH]c2c1.N#Cc1ccccc1Oc1ccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(CO)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(Oc5ccccn5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4OCc4ccccc4)cc3)nc12.
What is the InChIKey of 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is INCJNYUOWUELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O3.C27H20N2O3.C26H19N3O3.C25H17N3O3.C23H15F4NO2.C22H18N2O3.C21H17N3O4S.C21H16N2O3/c28-16-20-4-1-2-7-24(20)33-21-14-12-18(13-15-21)17-8-10-19(11-9-17)26-29-23-6-3-5-22(27(31)32)25(23)30-26;30-27(31)22-10-6-11-23-25(22)29-26(28-23)20-15-13-19(14-16-20)21-9-4-5-12-24(21)32-17-18-7-2-1-3-8-18;1-16-14-21(26(30)31)24-22(15-16)28-25(29-24)19-7-5-17(6-8-19)18-9-11-20(12-10-18)32-23-4-2-3-13-27-23;29-25(30)20-4-3-5-21-23(20)28-24(27-21)18-9-7-16(8-10-18)17-11-13-19(14-12-17)31-22-6-1-2-15-26-22;1-11-8-14(23(29)30-2)13-10-16(28-15(13)9-11)18-21(26)19(24)17(20(25)22(18)27)12-6-4-3-5-7-12;1-13-10-18(22(26)27)20-19(11-13)23-21(24-20)17-8-6-16(7-9-17)15-4-2-14(12-25)3-5-15;1-12-10-17(21(25)26)19-18(11-12)23-20(24-19)15-4-2-13(3-5-15)14-6-8-16(9-7-14)29(22,27)28;24-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-22-18-3-1-2-17(21(25)26)19(18)23-20/h1-15H,(H,29,30)(H,31,32);1-16H,17H2,(H,28,29)(H,30,31);2-15H,1H3,(H,28,29)(H,30,31);1-15H,(H,27,28)(H,29,30);3-9H,10H2,1-2H3;2-11,25H,12H2,1H3,(H,23,24)(H,26,27);2-11H,1H3,(H,23,24)(H,25,26)(H2,22,27,28);1-11,24H,12H2,(H,22,23)(H,25,26).
What are the key properties of 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 3204.39 g/mol, XLogP of 42.02, 36 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-cyanophenoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(hydroxymethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;methyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-3H-indole-4-carboxylate;6-methyl-2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-pyridin-2-yloxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158747880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).