5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

C174H129Cl6F3N16O24 — CID 158141354

IUPAC5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4cc5ccn(CCO)c5cc4F)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5O)cc4)c(F)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C(C)(C)O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C5CC5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4F)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C27H19ClN2O3.C27H19FN2O4.C25H19ClFN3O4.C24H18ClN3O3.C24H21ClN2O4.C24H19ClN2O3.C23H14ClFN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17;1-15-6-11-18(12-20(15)26(32)33)34-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)31;1-13-2-3-15(9-16(13)24(32)33)34-25-28-21-10-17(19(26)11-22(21)29-25)18-8-14-4-5-30(6-7-31)23(14)12-20(18)27;1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2;1-13-4-9-16(10-17(13)22(28)29)31-23-26-20-11-18(19(25)12-21(20)27-23)14-5-7-15(8-6-14)24(2,3)30;1-13-2-9-17(10-18(13)23(28)29)30-24-26-21-11-19(20(25)12-22(21)27-24)16-7-5-15(6-8-16)14-3-4-14;1-13-6-9-16(11-17(13)22(28)29)30-23-26-20-10-15(18(24)12-21(20)27-23)8-7-14-4-2-3-5-19(14)25/h2-15H,1H3,(H,29,30)(H,31,32);2-14,31H,1H3,(H,29,30)(H,32,33);2-5,8-12,31H,6-7H2,1H3,(H,28,29)(H,32,33);3-12H,1-2H3,(H,26,27)(H,29,30);4-12,30H,1-3H3,(H,26,27)(H,28,29);2,5-12,14H,3-4H2,1H3,(H,26,27)(H,28,29);2-6,9-12H,1H3,(H,26,27)(H,28,29)
InChIKeyFTZCNFWAZCMILO-UHFFFAOYSA-N
MW3097.75 g/mol
LogP43.86
Rot. Bonds33

About 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (PubChem CID 158141354) has the molecular formula C174H129Cl6F3N16O24 and a molecular weight of 3097.75 g/mol. Its IUPAC name is 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
PubChem CID158141354
Molecular FormulaC174H129Cl6F3N16O24
Molecular Weight3097.75 g/mol
Exact Mass3092.74
IUPAC Name5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4cc5ccn(CCO)c5cc4F)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5O)cc4)c(F)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C(C)(C)O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C5CC5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4F)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C27H19ClN2O3.C27H19FN2O4.C25H19ClFN3O4.C24H18ClN3O3.C24H21ClN2O4.C24H19ClN2O3.C23H14ClFN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17;1-15-6-11-18(12-20(15)26(32)33)34-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)31;1-13-2-3-15(9-16(13)24(32)33)34-25-28-21-10-17(19(26)11-22(21)29-25)18-8-14-4-5-30(6-7-31)23(14)12-20(18)27;1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2;1-13-4-9-16(10-17(13)22(28)29)31-23-26-20-11-18(19(25)12-21(20)27-23)14-5-7-15(8-6-14)24(2,3)30;1-13-2-9-17(10-18(13)23(28)29)30-24-26-21-11-19(20(25)12-22(21)27-24)16-7-5-15(6-8-16)14-3-4-14;1-13-6-9-16(11-17(13)22(28)29)30-23-26-20-10-15(18(24)12-21(20)27-23)8-7-14-4-2-3-5-19(14)25/h2-15H,1H3,(H,29,30)(H,31,32);2-14,31H,1H3,(H,29,30)(H,32,33);2-5,8-12,31H,6-7H2,1H3,(H,28,29)(H,32,33);3-12H,1-2H3,(H,26,27)(H,29,30);4-12,30H,1-3H3,(H,26,27)(H,28,29);2,5-12,14H,3-4H2,1H3,(H,26,27)(H,28,29);2-6,9-12H,1H3,(H,26,27)(H,28,29)
InChIKeyFTZCNFWAZCMILO-UHFFFAOYSA-N
XLogP43.86
TPSA597.02 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003097.75
LogP ≤ 543.86
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid with MolForge

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Related Compounds

5-((6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl)oxy)-2-methylbenzoic acid
CID 45256693
5-({6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)-1H-indol-5-yl]-1H-benzimidazol-2-yl}oxy)-2-methylbenzoic acid
CID 45256692
5-[[6-chloro-5-[1-(2,2,2-trifluoroethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267741
5-[[6-chloro-5-(3-cyano-1-methylindol-5-yl)-1H-benzimidazol-3-ium-2-yl]oxy]-2-methylbenzoic acid;2,2,2-trifluoroacetate
CID 68659682
5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzaldehyde
CID 145625436
5-[[6-chloro-5-[1-[2-[2-[2-[2-[2-[4-[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 171638075
5-[[5-[1-[2-[2-[2-[2-[2-[4-[[2-(3-anilinoprop-1-ynyl)-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]indol-5-yl]-6-chloro-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 171638218
5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-[2-[1-[2-[2-[2-[2-[2-[4-[[2-[4-[[[6-(2-cyanopropan-2-yl)-3-pyridinyl]amino]methyl]phenyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]benzoic acid
CID 171638368
2-[2-[1-[2-[2-[2-[2-[2-[4-[[2-[3-(1-benzofuran-5-ylamino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]-5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]benzoic acid
CID 171638849
5-[[6-chloro-5-(3-cyano-1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;2,2,2-trifluoroacetic acid
CID 171932838
5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2,3-dimethylbenzoic acid
CID 59267486
3-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267501

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (CID 158141354) is 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is Cc1ccc(Oc2nc3cc(-c4cc5ccn(CCO)c5cc4F)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5O)cc4)c(F)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C(C)(C)O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(C5CC5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4F)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The InChIKey is FTZCNFWAZCMILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O3.C27H19FN2O4.C25H19ClFN3O4.C24H18ClN3O3.C24H21ClN2O4.C24H19ClN2O3.C23H14ClFN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17;1-15-6-11-18(12-20(15)26(32)33)34-27-29-23-13-21(22(28)14-24(23)30-27)17-9-7-16(8-10-17)19-4-2-3-5-25(19)31;1-13-2-3-15(9-16(13)24(32)33)34-25-28-21-10-17(19(26)11-22(21)29-25)18-8-14-4-5-30(6-7-31)23(14)12-20(18)27;1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2;1-13-4-9-16(10-17(13)22(28)29)31-23-26-20-11-18(19(25)12-21(20)27-23)14-5-7-15(8-6-14)24(2,3)30;1-13-2-9-17(10-18(13)23(28)29)30-24-26-21-11-19(20(25)12-22(21)27-24)16-7-5-15(6-8-16)14-3-4-14;1-13-6-9-16(11-17(13)22(28)29)30-23-26-20-10-15(18(24)12-21(20)27-23)8-7-14-4-2-3-5-19(14)25/h2-15H,1H3,(H,29,30)(H,31,32);2-14,31H,1H3,(H,29,30)(H,32,33);2-5,8-12,31H,6-7H2,1H3,(H,28,29)(H,32,33);3-12H,1-2H3,(H,26,27)(H,29,30);4-12,30H,1-3H3,(H,26,27)(H,28,29);2,5-12,14H,3-4H2,1H3,(H,26,27)(H,28,29);2-6,9-12H,1H3,(H,26,27)(H,28,29).
What are the key properties of 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid has a molecular weight of 3097.75 g/mol, XLogP of 43.86, 33 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-(4-cyclopropylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[5-chloro-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is sourced from PubChem (CID 158141354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).