methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C164H143F9N18O23S — CID 159209425

IUPACmethyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OC4CCOc5cc(C#N)ccc54)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C5(F)COC5)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5cc[nH]c45)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4csc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H31F2N3O5.C34H29FN4O5.C33H29F4N3O5.C33H29FN4O4.C30H25FN4O4S/c1-41-15-14-39-30-17-25(33(40)42-2)10-13-29(30)37-31(39)18-23-8-9-24(16-27(23)35)28-4-3-5-32(38-28)44-19-22-6-11-26(12-7-22)34(36)20-43-21-34;1-41-15-13-39-29-18-24(34(40)42-2)9-11-28(29)37-32(39)19-22-7-8-23(17-26(22)35)27-4-3-5-33(38-27)44-30-12-14-43-31-16-21(20-36)6-10-25(30)31;1-42-14-13-40-28-16-22(32(41)44-3)10-12-27(28)38-30(40)17-20-7-8-21(15-25(20)34)26-5-4-6-31(39-26)45-19-23-9-11-24(33(35,36)37)18-29(23)43-2;1-40-16-15-38-29-18-24(33(39)41-2)11-12-28(29)36-30(38)19-22-9-10-23(17-26(22)34)27-7-4-8-31(37-27)42-20-25-6-3-5-21-13-14-35-32(21)25;1-37-11-10-35-27-14-22(30(36)38-2)8-9-26(27)33-28(35)15-20-6-7-21(13-24(20)31)25-4-3-5-29(34-25)39-17-19-12-23(16-32)40-18-19/h3-13,16-17H,14-15,18-21H2,1-2H3;3-11,16-18,30H,12-15,19H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3;3-14,17-18,35H,15-16,19-20H2,1-2H3;3-9,12-14,18H,10-11,15,17H2,1-2H3
InChIKeyKQHMOQUWPTXMGS-UHFFFAOYSA-N
MW2937.10 g/mol
LogP31.03
Rot. Bonds51

About methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 159209425) has the molecular formula C164H143F9N18O23S and a molecular weight of 2937.10 g/mol. Its IUPAC name is methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID159209425
Molecular FormulaC164H143F9N18O23S
Molecular Weight2937.10 g/mol
Exact Mass2935.02
IUPAC Namemethyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OC4CCOc5cc(C#N)ccc54)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C5(F)COC5)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5cc[nH]c45)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4csc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H31F2N3O5.C34H29FN4O5.C33H29F4N3O5.C33H29FN4O4.C30H25FN4O4S/c1-41-15-14-39-30-17-25(33(40)42-2)10-13-29(30)37-31(39)18-23-8-9-24(16-27(23)35)28-4-3-5-32(38-28)44-19-22-6-11-26(12-7-22)34(36)20-43-21-34;1-41-15-13-39-29-18-24(34(40)42-2)9-11-28(29)37-32(39)19-22-7-8-23(17-26(22)35)27-4-3-5-33(38-27)44-30-12-14-43-31-16-21(20-36)6-10-25(30)31;1-42-14-13-40-28-16-22(32(41)44-3)10-12-27(28)38-30(40)17-20-7-8-21(15-25(20)34)26-5-4-6-31(39-26)45-19-23-9-11-24(33(35,36)37)18-29(23)43-2;1-40-16-15-38-29-18-24(33(39)41-2)11-12-28(29)36-30(38)19-22-9-10-23(17-26(22)34)27-7-4-8-31(37-27)42-20-25-6-3-5-21-13-14-35-32(21)25;1-37-11-10-35-27-14-22(30(36)38-2)8-9-26(27)33-28(35)15-20-6-7-21(13-24(20)31)25-4-3-5-29(34-25)39-17-19-12-23(16-32)40-18-19/h3-13,16-17H,14-15,18-21H2,1-2H3;3-11,16-18,30H,12-15,19H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3;3-14,17-18,35H,15-16,19-20H2,1-2H3;3-9,12-14,18H,10-11,15,17H2,1-2H3
InChIKeyKQHMOQUWPTXMGS-UHFFFAOYSA-N
XLogP31.03
TPSA468.41 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.10
LogP ≤ 531.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157109777
Methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 159099869
methyl 2-[[2-cyano-4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-6-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,3,6-trifluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 159306435
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
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;3-methyl-7-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]quinazolin-4-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159474590
2-[[4-[6-[(4-Cyano-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 159726604
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159981095
Methyl 2-[[4-[6-[[4-chloro-2-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-3-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(3-cyanophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methylsulfanylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 160600219
2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 160881624
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
bis(tert-butyl (2S)-2-[5-[1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[5-(trifluoromethyl)thiophen-2-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate);methyl N-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-2-[(2S)-2-[5-[1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[5-(trifluoromethyl)thiophen-2-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[1-fluoro-10-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[5-(trifluoromethyl)thiophen-2-yl]-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 162264286
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid
CID 157240836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 159209425) is methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2ccc(-c3cccc(OC4CCOc5cc(C#N)ccc54)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C5(F)COC5)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5cc[nH]c45)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4csc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is KQHMOQUWPTXMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N3O5.C34H29FN4O5.C33H29F4N3O5.C33H29FN4O4.C30H25FN4O4S/c1-41-15-14-39-30-17-25(33(40)42-2)10-13-29(30)37-31(39)18-23-8-9-24(16-27(23)35)28-4-3-5-32(38-28)44-19-22-6-11-26(12-7-22)34(36)20-43-21-34;1-41-15-13-39-29-18-24(34(40)42-2)9-11-28(29)37-32(39)19-22-7-8-23(17-26(22)35)27-4-3-5-33(38-27)44-30-12-14-43-31-16-21(20-36)6-10-25(30)31;1-42-14-13-40-28-16-22(32(41)44-3)10-12-27(28)38-30(40)17-20-7-8-21(15-25(20)34)26-5-4-6-31(39-26)45-19-23-9-11-24(33(35,36)37)18-29(23)43-2;1-40-16-15-38-29-18-24(33(39)41-2)11-12-28(29)36-30(38)19-22-9-10-23(17-26(22)34)27-7-4-8-31(37-27)42-20-25-6-3-5-21-13-14-35-32(21)25;1-37-11-10-35-27-14-22(30(36)38-2)8-9-26(27)33-28(35)15-20-6-7-21(13-24(20)31)25-4-3-5-29(34-25)39-17-19-12-23(16-32)40-18-19/h3-13,16-17H,14-15,18-21H2,1-2H3;3-11,16-18,30H,12-15,19H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3;3-14,17-18,35H,15-16,19-20H2,1-2H3;3-9,12-14,18H,10-11,15,17H2,1-2H3.
What are the key properties of methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 2937.10 g/mol, XLogP of 31.03, 51 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 159209425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).