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

C157H112F8N14O18 — CID 157079679

IUPAC2-[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
SMILESCc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccccc3)cc1)=C2.Cc1ccc(C)n1-c1ccc(C2=Nc3cccc(C(=O)O)c3C2)cc1.Cn1cc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)cn1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5cccnc5)cc4)cc3)nc12
InChIInChI=1S/C27H20N2O3.C26H19N3O3.C23H18O2.C21H12F4N2O3.C21H18N2O2.C20H10F4N2O3.C19H15N3O2/c30-27(31)23-7-4-8-24-25(23)29-26(28-24)21-11-9-19(10-12-21)20-13-15-22(16-14-20)32-17-18-5-2-1-3-6-18;30-26(31)22-4-1-5-23-24(22)29-25(28-23)20-8-6-18(7-9-20)19-10-12-21(13-11-19)32-16-17-3-2-14-27-15-17;1-15-11-20-13-19(14-21(20)22(12-15)23(24)25)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-9-7-11(21(28)29)18-12(8-9)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)30-10-5-3-2-4-6-10;1-13-6-7-14(2)23(13)16-10-8-15(9-11-16)20-12-18-17(21(24)25)4-3-5-19(18)22-20;21-13-12(19-25-11-8-4-7-10(20(27)28)17(11)26-19)14(22)16(24)18(15(13)23)29-9-5-2-1-3-6-9;1-22-11-14(10-20-22)12-5-7-13(8-6-12)18-9-16-15(19(23)24)3-2-4-17(16)21-18/h1-16H,17H2,(H,28,29)(H,30,31);1-15H,16H2,(H,28,29)(H,30,31);2-13H,14H2,1H3,(H,24,25);2-8H,1H3,(H,26,27)(H,28,29);3-11H,12H2,1-2H3,(H,24,25);1-8H,(H,25,26)(H,27,28);2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyADJRXADVFOKBTI-UHFFFAOYSA-N
MW2634.69 g/mol
LogP35.99
Rot. Bonds29

About 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

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 (PubChem CID 157079679) has the molecular formula C157H112F8N14O18 and a molecular weight of 2634.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157079679
Molecular FormulaC157H112F8N14O18
Molecular Weight2634.69 g/mol
Exact Mass2632.82
IUPAC Name2-[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
SMILESCc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccccc3)cc1)=C2.Cc1ccc(C)n1-c1ccc(C2=Nc3cccc(C(=O)O)c3C2)cc1.Cn1cc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)cn1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5cccnc5)cc4)cc3)nc12
InChIInChI=1S/C27H20N2O3.C26H19N3O3.C23H18O2.C21H12F4N2O3.C21H18N2O2.C20H10F4N2O3.C19H15N3O2/c30-27(31)23-7-4-8-24-25(23)29-26(28-24)21-11-9-19(10-12-21)20-13-15-22(16-14-20)32-17-18-5-2-1-3-6-18;30-26(31)22-4-1-5-23-24(22)29-25(28-23)20-8-6-18(7-9-20)19-10-12-21(13-11-19)32-16-17-3-2-14-27-15-17;1-15-11-20-13-19(14-21(20)22(12-15)23(24)25)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-9-7-11(21(28)29)18-12(8-9)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)30-10-5-3-2-4-6-10;1-13-6-7-14(2)23(13)16-10-8-15(9-11-16)20-12-18-17(21(24)25)4-3-5-19(18)22-20;21-13-12(19-25-11-8-4-7-10(20(27)28)17(11)26-19)14(22)16(24)18(15(13)23)29-9-5-2-1-3-6-9;1-22-11-14(10-20-22)12-5-7-13(8-6-12)18-9-16-15(19(23)24)3-2-4-17(16)21-18/h1-16H,17H2,(H,28,29)(H,30,31);1-15H,16H2,(H,28,29)(H,30,31);2-13H,14H2,1H3,(H,24,25);2-8H,1H3,(H,26,27)(H,28,29);3-11H,12H2,1-2H3,(H,24,25);1-8H,(H,25,26)(H,27,28);2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyADJRXADVFOKBTI-UHFFFAOYSA-N
XLogP35.99
TPSA473.10 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.69
LogP ≤ 535.99
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145034162
2-[[2-[1-(Difluoromethyl)pyrazol-4-yl]-4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156731191
2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]-2-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156731212
methyl 2-[[2-fluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indazol-6-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1R)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1S)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157634809
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 157698689
4-[2-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-[2-[4-(hydroxymethyl)phenyl]ethyl]benzimidazol-5-yl]-4-(cyclohexylmethylamino)butan-2-one;4-[2-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]-4-(1H-indazol-5-ylmethylamino)butan-2-one;4-(cyclohexylmethylamino)-4-[2-[4-(dipropylamino)phenyl]-1-[2-[4-(hydroxymethyl)phenyl]ethyl]benzimidazol-5-yl]butan-2-one
CID 158161582
2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-methoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(3-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 158328827
5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 158620082
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(1-methylpyrazol-4-yl)phenyl]-5-[(3-oxo-5-phenylmethoxy-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 158805521
(5R)-5-[4-(2,3-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazolidine-2,4-dione
CID 158936226
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 159362496
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccccc3)cc1)=C2.Cc1ccc(C)n1-c1ccc(C2=Nc3cccc(C(=O)O)c3C2)cc1.Cn1cc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)cn1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5cccnc5)cc4)cc3)nc12.
What is the InChIKey of 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?
The InChIKey is ADJRXADVFOKBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3.C26H19N3O3.C23H18O2.C21H12F4N2O3.C21H18N2O2.C20H10F4N2O3.C19H15N3O2/c30-27(31)23-7-4-8-24-25(23)29-26(28-24)21-11-9-19(10-12-21)20-13-15-22(16-14-20)32-17-18-5-2-1-3-6-18;30-26(31)22-4-1-5-23-24(22)29-25(28-23)20-8-6-18(7-9-20)19-10-12-21(13-11-19)32-16-17-3-2-14-27-15-17;1-15-11-20-13-19(14-21(20)22(12-15)23(24)25)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-9-7-11(21(28)29)18-12(8-9)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)30-10-5-3-2-4-6-10;1-13-6-7-14(2)23(13)16-10-8-15(9-11-16)20-12-18-17(21(24)25)4-3-5-19(18)22-20;21-13-12(19-25-11-8-4-7-10(20(27)28)17(11)26-19)14(22)16(24)18(15(13)23)29-9-5-2-1-3-6-9;1-22-11-14(10-20-22)12-5-7-13(8-6-12)18-9-16-15(19(23)24)3-2-4-17(16)21-18/h1-16H,17H2,(H,28,29)(H,30,31);1-15H,16H2,(H,28,29)(H,30,31);2-13H,14H2,1H3,(H,24,25);2-8H,1H3,(H,26,27)(H,28,29);3-11H,12H2,1-2H3,(H,24,25);1-8H,(H,25,26)(H,27,28);2-8,10-11H,9H2,1H3,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 2634.69 g/mol, XLogP of 35.99, 29 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157079679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).