2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane

C197H146F21N25O27 — CID 160545150

IUPAC2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane
SMILESC.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2F)nc2ccc(OC(C)(C)C(=O)O)cc21.Cc1nc(Cn2c(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5F)n4)cc3F)nc3ccc(C(=O)O)cc32)oc1C.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4C4COCC4(F)F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@@H]4COC[C@@H]4O)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4O)cc3F)n2)c(F)c1
InChIInChI=1S/C34H24F3N5O4.C34H29F3N4O5.C32H21F5N4O4.C32H22F4N4O4.2C32H23F3N4O5.CH4/c1-18-19(2)46-33(39-18)16-42-30-12-21(34(43)44)8-9-29(30)40-31(42)13-23-11-27(37)24(14-26(23)36)28-4-3-5-32(41-28)45-17-22-7-6-20(15-38)10-25(22)35;1-34(2,33(42)43)46-23-9-10-29-30(16-23)41(11-12-44-3)31(39-29)15-22-14-27(37)24(17-26(22)36)28-5-4-6-32(40-28)45-19-21-8-7-20(18-38)13-25(21)35;33-22-8-17(13-38)4-5-19(22)14-45-30-3-1-2-25(40-30)21-12-23(34)20(9-24(21)35)11-29-39-26-7-6-18(31(42)43)10-27(26)41(29)28-15-44-16-32(28,36)37;33-22-8-17(13-37)4-5-19(22)14-44-31-3-1-2-26(39-31)21-12-23(34)20(9-24(21)35)11-30-38-27-7-6-18(32(41)42)10-28(27)40(30)29-16-43-15-25(29)36;2*33-22-8-17(13-36)4-5-19(22)14-44-31-3-1-2-25(38-31)21-12-23(34)20(9-24(21)35)11-30-37-26-7-6-18(32(41)42)10-27(26)39(30)28-15-43-16-29(28)40;/h3-12,14H,13,16-17H2,1-2H3,(H,43,44);4-10,13-14,16-17H,11-12,15,19H2,1-3H3,(H,42,43);1-10,12,28H,11,14-16H2,(H,42,43);1-10,12,25,29H,11,14-16H2,(H,41,42);2*1-10,12,28-29,40H,11,14-16H2,(H,41,42);1H4/t;;;25-,29+;2*28-,29+;/m...110./s1
InChIKeyQXIBLVZFCIDMJU-CFVQZCEXSA-N
MW3694.44 g/mol
LogP36.99
Rot. Bonds53

About 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane

2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane (PubChem CID 160545150) has the molecular formula C197H146F21N25O27 and a molecular weight of 3694.44 g/mol. Its IUPAC name is 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane.

Molecular Properties

Compound Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane
PubChem CID160545150
Molecular FormulaC197H146F21N25O27
Molecular Weight3694.44 g/mol
Exact Mass3692.05
IUPAC Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane
SMILESC.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2F)nc2ccc(OC(C)(C)C(=O)O)cc21.Cc1nc(Cn2c(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5F)n4)cc3F)nc3ccc(C(=O)O)cc32)oc1C.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4C4COCC4(F)F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@@H]4COC[C@@H]4O)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4O)cc3F)n2)c(F)c1
InChIInChI=1S/C34H24F3N5O4.C34H29F3N4O5.C32H21F5N4O4.C32H22F4N4O4.2C32H23F3N4O5.CH4/c1-18-19(2)46-33(39-18)16-42-30-12-21(34(43)44)8-9-29(30)40-31(42)13-23-11-27(37)24(14-26(23)36)28-4-3-5-32(41-28)45-17-22-7-6-20(15-38)10-25(22)35;1-34(2,33(42)43)46-23-9-10-29-30(16-23)41(11-12-44-3)31(39-29)15-22-14-27(37)24(17-26(22)36)28-5-4-6-32(40-28)45-19-21-8-7-20(18-38)13-25(21)35;33-22-8-17(13-38)4-5-19(22)14-45-30-3-1-2-25(40-30)21-12-23(34)20(9-24(21)35)11-29-39-26-7-6-18(31(42)43)10-27(26)41(29)28-15-44-16-32(28,36)37;33-22-8-17(13-37)4-5-19(22)14-44-31-3-1-2-26(39-31)21-12-23(34)20(9-24(21)35)11-30-38-27-7-6-18(32(41)42)10-28(27)40(30)29-16-43-15-25(29)36;2*33-22-8-17(13-36)4-5-19(22)14-44-31-3-1-2-25(38-31)21-12-23(34)20(9-24(21)35)11-30-37-26-7-6-18(32(41)42)10-27(26)39(30)28-15-43-16-29(28)40;/h3-12,14H,13,16-17H2,1-2H3,(H,43,44);4-10,13-14,16-17H,11-12,15,19H2,1-3H3,(H,42,43);1-10,12,28H,11,14-16H2,(H,42,43);1-10,12,25,29H,11,14-16H2,(H,41,42);2*1-10,12,28-29,40H,11,14-16H2,(H,41,42);1H4/t;;;25-,29+;2*28-,29+;/m...110./s1
InChIKeyQXIBLVZFCIDMJU-CFVQZCEXSA-N
XLogP36.99
TPSA728.05 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds53
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003694.44
LogP ≤ 536.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane?
The IUPAC name of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane (CID 160545150) is 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane.
What is the SMILES notation for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane?
The canonical SMILES for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane is C.COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C#N)cc4F)n3)cc2F)nc2ccc(OC(C)(C)C(=O)O)cc21.Cc1nc(Cn2c(Cc3cc(F)c(-c4cccc(OCc5ccc(C#N)cc5F)n4)cc3F)nc3ccc(C(=O)O)cc32)oc1C.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4C4COCC4(F)F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@@H]4COC[C@@H]4O)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4F)cc3F)n2)c(F)c1.N#Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4[C@H]4COC[C@H]4O)cc3F)n2)c(F)c1.
What is the InChIKey of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane?
The InChIKey is QXIBLVZFCIDMJU-CFVQZCEXSA-N. The full InChI is InChI=1S/C34H24F3N5O4.C34H29F3N4O5.C32H21F5N4O4.C32H22F4N4O4.2C32H23F3N4O5.CH4/c1-18-19(2)46-33(39-18)16-42-30-12-21(34(43)44)8-9-29(30)40-31(42)13-23-11-27(37)24(14-26(23)36)28-4-3-5-32(41-28)45-17-22-7-6-20(15-38)10-25(22)35;1-34(2,33(42)43)46-23-9-10-29-30(16-23)41(11-12-44-3)31(39-29)15-22-14-27(37)24(17-26(22)36)28-5-4-6-32(40-28)45-19-21-8-7-20(18-38)13-25(21)35;33-22-8-17(13-38)4-5-19(22)14-45-30-3-1-2-25(40-30)21-12-23(34)20(9-24(21)35)11-29-39-26-7-6-18(31(42)43)10-27(26)41(29)28-15-44-16-32(28,36)37;33-22-8-17(13-37)4-5-19(22)14-44-31-3-1-2-26(39-31)21-12-23(34)20(9-24(21)35)11-30-38-27-7-6-18(32(41)42)10-28(27)40(30)29-16-43-15-25(29)36;2*33-22-8-17(13-36)4-5-19(22)14-44-31-3-1-2-25(38-31)21-12-23(34)20(9-24(21)35)11-30-37-26-7-6-18(32(41)42)10-27(26)39(30)28-15-43-16-29(28)40;/h3-12,14H,13,16-17H2,1-2H3,(H,43,44);4-10,13-14,16-17H,11-12,15,19H2,1-3H3,(H,42,43);1-10,12,28H,11,14-16H2,(H,42,43);1-10,12,25,29H,11,14-16H2,(H,41,42);2*1-10,12,28-29,40H,11,14-16H2,(H,41,42);1H4/t;;;25-,29+;2*28-,29+;/m...110./s1.
What are the key properties of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane?
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane has a molecular weight of 3694.44 g/mol, XLogP of 36.99, 53 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(4,4-difluorooxolan-3-yl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-fluorooxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3S,4S)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[(3R,4R)-4-hydroxyoxolan-3-yl]benzimidazole-5-carboxylic acid;2-[2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazol-5-yl]oxy-2-methylpropanoic acid;methane is sourced from PubChem (CID 160545150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).