methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C132H114F13N13O18 — CID 159867607

About methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 159867607) has the molecular formula C132H114F13N13O18 and a molecular weight of 2417.41 g/mol. Its IUPAC name is methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• PubChem CID: 159867607
• Molecular Formula: C132H114F13N13O18
• Molecular Weight: 2417.41 g/mol
• Exact Mass: 2415.82
• IUPAC Name: methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• SMILES: COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4OC4CC4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(OCC(F)F)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccccc4C(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21
• InChI: InChI=1S/C35H31FN4O5.C33H30F3N3O5.C32H25F6N3O4.C32H28F3N3O4/c1-42-15-14-40-31-18-25(35(41)43-2)10-13-30(31)38-33(40)19-23-8-9-24(17-28(23)36)29-4-3-5-34(39-29)44-21-26-7-6-22(20-37)16-32(26)45-27-11-12-27;1-41-14-13-39-29-17-24(33(40)42-2)11-12-28(29)37-31(39)18-22-9-10-23(16-26(22)34)27-7-4-8-32(38-27)44-19-21-5-3-6-25(15-21)43-20-30(35)36;1-43-11-10-41-28-13-18(31(42)44-2)7-9-27(28)39-29(41)14-20-12-25(35)22(16-24(20)34)26-4-3-5-30(40-26)45-17-19-6-8-21(15-23(19)33)32(36,37)38;1-40-15-14-38-28-17-22(32(39)41-2)12-13-27(28)36-29(38)18-20-10-11-21(16-25(20)33)26-8-5-9-30(37-26)42-19-23-6-3-4-7-24(23)31(34)35/h3-10,13,16-18,27H,11-12,14-15,19,21H2,1-2H3;3-12,15-17,30H,13-14,18-20H2,1-2H3;3-9,12-13,15-16H,10-11,14,17H2,1-2H3;3-13,16-17,31H,14-15,18-19H2,1-2H3
• InChIKey: NRXWFTMXFHNXQX-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 344.13 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 46
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.41
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The IUPAC name of methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 159867607) is methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

What is the SMILES notation for methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The canonical SMILES for methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4OC4CC4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc(OCC(F)F)c4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccccc4C(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.

What is the InChIKey of methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The InChIKey is NRXWFTMXFHNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN4O5.C33H30F3N3O5.C32H25F6N3O4.C32H28F3N3O4/c1-42-15-14-40-31-18-25(35(41)43-2)10-13-30(31)38-33(40)19-23-8-9-24(17-28(23)36)29-4-3-5-34(39-29)44-21-26-7-6-22(20-37)16-32(26)45-27-11-12-27;1-41-14-13-39-29-17-24(33(40)42-2)11-12-28(29)37-31(39)18-22-9-10-23(16-26(22)34)27-7-4-8-32(38-27)44-19-21-5-3-6-25(15-21)43-20-30(35)36;1-43-11-10-41-28-13-18(31(42)44-2)7-9-27(28)39-29(41)14-20-12-25(35)22(16-24(20)34)26-4-3-5-30(40-26)45-17-19-6-8-21(15-23(19)33)32(36,37)38;1-40-15-14-38-28-17-22(32(39)41-2)12-13-27(28)36-29(38)18-20-10-11-21(16-25(20)33)26-8-5-9-30(37-26)42-19-23-6-3-4-7-24(23)31(34)35/h3-10,13,16-18,27H,11-12,14-15,19,21H2,1-2H3;3-12,15-17,30H,13-14,18-20H2,1-2H3;3-9,12-13,15-16H,10-11,14,17H2,1-2H3;3-13,16-17,31H,14-15,18-19H2,1-2H3.

What are the key properties of methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 2417.41 g/mol, XLogP of 26.65, 46 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-[6-[(4-cyano-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[3-(2,2-difluoroethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[[2-(difluoromethyl)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 159867607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).