4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate

C187H153N21O28S4 — CID 158060634

IUPAC4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate
SMILESCCn1c(-c2cccc3c2N(Cc2cccs2)C(SCc2ccccc2)N3)nc2cc(C(=O)OC)ccc21.CCn1c(-c2cccc3nc(SCc4ccccc4)n(Cc4cccs4)c23)nc2cc(C(=O)OC)ccc21.O=C(O)c1ccc(CCc2nc3cccc(-c4nc5c(C(=O)OCC(O)c6ccccc6)cccc5[nH]4)c3o2)cc1.O=C(OC(O)c1ccccc1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3COc4ccccc4O3)[nH]c2c1.O=C(OCC(O)c1ccccc1)c1cccc2nc(-c3cccc4nc(C(Cc5ccccc5)C(=O)O)oc34)oc12.O=C(OCCc1cccc(O)c1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3Cc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C32H26N4O5.C32H25N3O6.C32H24N2O7.C31H24N4O6.C30H28N4O2S2.C30H26N4O2S2/c37-22-7-3-5-19(15-22)13-14-40-31(38)21-11-12-25-26(17-21)34-30(33-25)24-8-4-9-27-29(24)35-32(39)36(27)18-23-16-20-6-1-2-10-28(20)41-23;36-26(20-6-2-1-3-7-20)18-40-32(39)22-8-4-10-24-28(22)35-30(34-24)23-9-5-11-25-29(23)41-27(33-25)17-14-19-12-15-21(16-13-19)31(37)38;35-26(20-11-5-2-6-12-20)18-39-32(38)22-14-8-16-25-28(22)41-29(33-25)21-13-7-15-24-27(21)40-30(34-24)23(31(36)37)17-19-9-3-1-4-10-19;36-29(18-7-2-1-3-8-18)41-30(37)19-13-14-22-23(15-19)33-28(32-22)21-9-6-10-24-27(21)34-31(38)35(24)16-20-17-39-25-11-4-5-12-26(25)40-20;2*1-3-33-26-15-14-21(29(35)36-2)17-25(26)31-28(33)23-12-7-13-24-27(23)34(18-22-11-8-16-37-22)30(32-24)38-19-20-9-5-4-6-10-20/h1-12,15,17,23,37H,13-14,16,18H2,(H,33,34)(H,35,39);1-13,15-16,26,36H,14,17-18H2,(H,34,35)(H,37,38);1-16,23,26,35H,17-18H2,(H,36,37);1-15,20,29,36H,16-17H2,(H,32,33)(H,34,38);4-17,30,32H,3,18-19H2,1-2H3;4-17H,3,18-19H2,1-2H3
InChIKeyFKPCLIYEUCEDDT-UHFFFAOYSA-N
MW3270.67 g/mol
LogP35.71
Rot. Bonds47

About 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate

4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate (PubChem CID 158060634) has the molecular formula C187H153N21O28S4 and a molecular weight of 3270.67 g/mol. Its IUPAC name is 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate
PubChem CID158060634
Molecular FormulaC187H153N21O28S4
Molecular Weight3270.67 g/mol
Exact Mass3268.01
IUPAC Name4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate
SMILESCCn1c(-c2cccc3c2N(Cc2cccs2)C(SCc2ccccc2)N3)nc2cc(C(=O)OC)ccc21.CCn1c(-c2cccc3nc(SCc4ccccc4)n(Cc4cccs4)c23)nc2cc(C(=O)OC)ccc21.O=C(O)c1ccc(CCc2nc3cccc(-c4nc5c(C(=O)OCC(O)c6ccccc6)cccc5[nH]4)c3o2)cc1.O=C(OC(O)c1ccccc1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3COc4ccccc4O3)[nH]c2c1.O=C(OCC(O)c1ccccc1)c1cccc2nc(-c3cccc4nc(C(Cc5ccccc5)C(=O)O)oc34)oc12.O=C(OCCc1cccc(O)c1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3Cc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C32H26N4O5.C32H25N3O6.C32H24N2O7.C31H24N4O6.C30H28N4O2S2.C30H26N4O2S2/c37-22-7-3-5-19(15-22)13-14-40-31(38)21-11-12-25-26(17-21)34-30(33-25)24-8-4-9-27-29(24)35-32(39)36(27)18-23-16-20-6-1-2-10-28(20)41-23;36-26(20-6-2-1-3-7-20)18-40-32(39)22-8-4-10-24-28(22)35-30(34-24)23-9-5-11-25-29(23)41-27(33-25)17-14-19-12-15-21(16-13-19)31(37)38;35-26(20-11-5-2-6-12-20)18-39-32(38)22-14-8-16-25-28(22)41-29(33-25)21-13-7-15-24-27(21)40-30(34-24)23(31(36)37)17-19-9-3-1-4-10-19;36-29(18-7-2-1-3-8-18)41-30(37)19-13-14-22-23(15-19)33-28(32-22)21-9-6-10-24-27(21)34-31(38)35(24)16-20-17-39-25-11-4-5-12-26(25)40-20;2*1-3-33-26-15-14-21(29(35)36-2)17-25(26)31-28(33)23-12-7-13-24-27(23)34(18-22-11-8-16-37-22)30(32-24)38-19-20-9-5-4-6-10-20/h1-12,15,17,23,37H,13-14,16,18H2,(H,33,34)(H,35,39);1-13,15-16,26,36H,14,17-18H2,(H,34,35)(H,37,38);1-16,23,26,35H,17-18H2,(H,36,37);1-15,20,29,36H,16-17H2,(H,32,33)(H,34,38);4-17,30,32H,3,18-19H2,1-2H3;4-17H,3,18-19H2,1-2H3
InChIKeyFKPCLIYEUCEDDT-UHFFFAOYSA-N
XLogP35.71
TPSA649.45 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds47
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003270.67
LogP ≤ 535.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
CID 159953439

Frequently Asked Questions

What is the IUPAC name of 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate?
The IUPAC name of 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate (CID 158060634) is 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate.
What is the SMILES notation for 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate?
The canonical SMILES for 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate is CCn1c(-c2cccc3c2N(Cc2cccs2)C(SCc2ccccc2)N3)nc2cc(C(=O)OC)ccc21.CCn1c(-c2cccc3nc(SCc4ccccc4)n(Cc4cccs4)c23)nc2cc(C(=O)OC)ccc21.O=C(O)c1ccc(CCc2nc3cccc(-c4nc5c(C(=O)OCC(O)c6ccccc6)cccc5[nH]4)c3o2)cc1.O=C(OC(O)c1ccccc1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3COc4ccccc4O3)[nH]c2c1.O=C(OCC(O)c1ccccc1)c1cccc2nc(-c3cccc4nc(C(Cc5ccccc5)C(=O)O)oc34)oc12.O=C(OCCc1cccc(O)c1)c1ccc2nc(-c3cccc4c3[nH]c(=O)n4CC3Cc4ccccc4O3)[nH]c2c1.
What is the InChIKey of 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate?
The InChIKey is FKPCLIYEUCEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O5.C32H25N3O6.C32H24N2O7.C31H24N4O6.C30H28N4O2S2.C30H26N4O2S2/c37-22-7-3-5-19(15-22)13-14-40-31(38)21-11-12-25-26(17-21)34-30(33-25)24-8-4-9-27-29(24)35-32(39)36(27)18-23-16-20-6-1-2-10-28(20)41-23;36-26(20-6-2-1-3-7-20)18-40-32(39)22-8-4-10-24-28(22)35-30(34-24)23-9-5-11-25-29(23)41-27(33-25)17-14-19-12-15-21(16-13-19)31(37)38;35-26(20-11-5-2-6-12-20)18-39-32(38)22-14-8-16-25-28(22)41-29(33-25)21-13-7-15-24-27(21)40-30(34-24)23(31(36)37)17-19-9-3-1-4-10-19;36-29(18-7-2-1-3-8-18)41-30(37)19-13-14-22-23(15-19)33-28(32-22)21-9-6-10-24-27(21)34-31(38)35(24)16-20-17-39-25-11-4-5-12-26(25)40-20;2*1-3-33-26-15-14-21(29(35)36-2)17-25(26)31-28(33)23-12-7-13-24-27(23)34(18-22-11-8-16-37-22)30(32-24)38-19-20-9-5-4-6-10-20/h1-12,15,17,23,37H,13-14,16,18H2,(H,33,34)(H,35,39);1-13,15-16,26,36H,14,17-18H2,(H,34,35)(H,37,38);1-16,23,26,35H,17-18H2,(H,36,37);1-15,20,29,36H,16-17H2,(H,32,33)(H,34,38);4-17,30,32H,3,18-19H2,1-2H3;4-17H,3,18-19H2,1-2H3.
What are the key properties of 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate?
4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate has a molecular weight of 3270.67 g/mol, XLogP of 35.71, 47 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-[4-(2-hydroxy-2-phenylethoxy)carbonyl-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]ethyl]benzoic acid;2-[7-[7-(2-hydroxy-2-phenylethoxy)carbonyl-1,3-benzoxazol-2-yl]-1,3-benzoxazol-2-yl]-3-phenylpropanoic acid;2-(3-hydroxyphenyl)ethyl 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;[hydroxy(phenyl)methyl] 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-3H-benzimidazol-4-yl]-3H-benzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate;methyl 2-[2-benzylsulfanyl-3-(thiophen-2-ylmethyl)-1,2-dihydrobenzimidazol-4-yl]-1-ethylbenzimidazole-5-carboxylate is sourced from PubChem (CID 158060634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).