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

C195H169Cl2F15N20O27S — CID 160600219

IUPACmethyl 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
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)c(F)c4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccccc4SC)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C33H28ClF4N3O5.C33H29ClF3N3O5.C33H28F2N4O5.C32H27F4N3O4.C32H27FN4O4.C32H30FN3O4S/c1-43-13-12-41-28-15-22(32(42)44-2)9-11-27(28)39-30(41)16-20-6-7-21(14-25(20)35)26-4-3-5-31(40-26)45-18-23-8-10-24(34)17-29(23)46-19-33(36,37)38;1-42-13-12-40-28-15-22(33(41)43-2)9-11-27(28)38-31(40)16-20-6-7-21(14-25(20)35)26-4-3-5-32(39-26)45-18-23-8-10-24(34)17-29(23)44-19-30(36)37;1-41-14-13-39-28-16-22(33(40)43-3)11-12-27(28)37-29(39)17-20-7-8-21(15-25(20)34)26-5-4-6-30(38-26)44-19-24-10-9-23(18-36)31(35)32(24)42-2;1-41-15-14-39-28-17-23(31(40)42-2)10-13-27(28)37-29(39)18-21-8-9-22(16-25(21)33)26-4-3-5-30(38-26)43-19-20-6-11-24(12-7-20)32(34,35)36;1-39-14-13-37-29-17-25(32(38)40-2)11-12-28(29)35-30(37)18-23-9-10-24(16-26(23)33)27-7-4-8-31(36-27)41-20-22-6-3-5-21(15-22)19-34;1-38-16-15-36-28-18-23(32(37)39-2)13-14-27(28)34-30(36)19-21-11-12-22(17-25(21)33)26-8-6-10-31(35-26)40-20-24-7-4-5-9-29(24)41-3/h3-11,14-15,17H,12-13,16,18-19H2,1-2H3;3-11,14-15,17,30H,12-13,16,18-19H2,1-2H3;4-12,15-16H,13-14,17,19H2,1-3H3;3-13,16-17H,14-15,18-19H2,1-2H3;3-12,15-17H,13-14,18,20H2,1-2H3;4-14,17-18H,15-16,19-20H2,1-3H3
InChIKeyREEDFECIPCWXCY-UHFFFAOYSA-N
MW3612.55 g/mol
LogP39.56
Rot. Bonds67

About 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

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 (PubChem CID 160600219) has the molecular formula C195H169Cl2F15N20O27S and a molecular weight of 3612.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID160600219
Molecular FormulaC195H169Cl2F15N20O27S
Molecular Weight3612.55 g/mol
Exact Mass3609.13
IUPAC Namemethyl 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
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)c(F)c4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccccc4SC)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C33H28ClF4N3O5.C33H29ClF3N3O5.C33H28F2N4O5.C32H27F4N3O4.C32H27FN4O4.C32H30FN3O4S/c1-43-13-12-41-28-15-22(32(42)44-2)9-11-27(28)39-30(41)16-20-6-7-21(14-25(20)35)26-4-3-5-31(40-26)45-18-23-8-10-24(34)17-29(23)46-19-33(36,37)38;1-42-13-12-40-28-15-22(33(41)43-2)9-11-27(28)38-31(40)16-20-6-7-21(14-25(20)35)26-4-3-5-32(39-26)45-18-23-8-10-24(34)17-29(23)44-19-30(36)37;1-41-14-13-39-28-16-22(33(40)43-3)11-12-27(28)37-29(39)17-20-7-8-21(15-25(20)34)26-5-4-6-30(38-26)44-19-24-10-9-23(18-36)31(35)32(24)42-2;1-41-15-14-39-28-17-23(31(40)42-2)10-13-27(28)37-29(39)18-21-8-9-22(16-25(21)33)26-4-3-5-30(38-26)43-19-20-6-11-24(12-7-20)32(34,35)36;1-39-14-13-37-29-17-25(32(38)40-2)11-12-28(29)35-30(37)18-23-9-10-24(16-26(23)33)27-7-4-8-31(36-27)41-20-22-6-3-5-21(15-22)19-34;1-38-16-15-36-28-18-23(32(37)39-2)13-14-27(28)34-30(36)19-21-11-12-22(17-25(21)33)26-8-6-10-31(35-26)40-20-24-7-4-5-9-29(24)41-3/h3-11,14-15,17H,12-13,16,18-19H2,1-2H3;3-11,14-15,17,30H,12-13,16,18-19H2,1-2H3;4-12,15-16H,13-14,17,19H2,1-3H3;3-13,16-17H,14-15,18-19H2,1-2H3;3-12,15-17H,13-14,18,20H2,1-2H3;4-14,17-18H,15-16,19-20H2,1-3H3
InChIKeyREEDFECIPCWXCY-UHFFFAOYSA-N
XLogP39.56
TPSA528.09 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds67
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003612.55
LogP ≤ 539.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)c(F)c4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(Cl)cc4OCC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(C#N)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccccc4SC)n3)cc2F)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of 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?
The InChIKey is REEDFECIPCWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClF4N3O5.C33H29ClF3N3O5.C33H28F2N4O5.C32H27F4N3O4.C32H27FN4O4.C32H30FN3O4S/c1-43-13-12-41-28-15-22(32(42)44-2)9-11-27(28)39-30(41)16-20-6-7-21(14-25(20)35)26-4-3-5-31(40-26)45-18-23-8-10-24(34)17-29(23)46-19-33(36,37)38;1-42-13-12-40-28-15-22(33(41)43-2)9-11-27(28)38-31(40)16-20-6-7-21(14-25(20)35)26-4-3-5-32(39-26)45-18-23-8-10-24(34)17-29(23)44-19-30(36)37;1-41-14-13-39-28-16-22(33(40)43-3)11-12-27(28)37-29(39)17-20-7-8-21(15-25(20)34)26-5-4-6-30(38-26)44-19-24-10-9-23(18-36)31(35)32(24)42-2;1-41-15-14-39-28-17-23(31(40)42-2)10-13-27(28)37-29(39)18-21-8-9-22(16-25(21)33)26-4-3-5-30(38-26)43-19-20-6-11-24(12-7-20)32(34,35)36;1-39-14-13-37-29-17-25(32(38)40-2)11-12-28(29)35-30(37)18-23-9-10-24(16-26(23)33)27-7-4-8-31(36-27)41-20-22-6-3-5-21(15-22)19-34;1-38-16-15-36-28-18-23(32(37)39-2)13-14-27(28)34-30(36)19-21-11-12-22(17-25(21)33)26-8-6-10-31(35-26)40-20-24-7-4-5-9-29(24)41-3/h3-11,14-15,17H,12-13,16,18-19H2,1-2H3;3-11,14-15,17,30H,12-13,16,18-19H2,1-2H3;4-12,15-16H,13-14,17,19H2,1-3H3;3-13,16-17H,14-15,18-19H2,1-2H3;3-12,15-17H,13-14,18,20H2,1-2H3;4-14,17-18H,15-16,19-20H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3612.55 g/mol, XLogP of 39.56, 67 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).