methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C197H171F15N20O31 — CID 159801614

IUPACmethyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCc4cc(C(F)(F)F)ccc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cc(F)c(C#N)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4OC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc5c(c4)OC(F)(F)O5)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4OCCC5)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H32FN3O5.C33H29F4N3O5.C33H27F3N4O5.C33H28F2N4O5.C32H26F3N3O6.C32H29F2N3O5/c1-40-17-15-38-30-19-25(34(39)41-2)13-14-29(30)36-31(38)20-23-11-12-24(18-27(23)35)28-9-4-10-32(37-28)43-21-26-7-3-6-22-8-5-16-42-33(22)26;1-42-14-13-40-28-17-22(32(41)44-3)9-11-27(28)38-30(40)18-20-7-8-21(16-25(20)34)26-5-4-6-31(39-26)45-19-23-15-24(33(35,36)37)10-12-29(23)43-2;1-42-13-12-40-28-16-23(32(41)43-2)10-11-27(28)38-30(40)17-21-8-9-22(15-25(21)34)26-4-3-5-31(39-26)44-19-24-7-6-20(18-37)14-29(24)45-33(35)36;1-41-12-11-39-29-15-22(33(40)43-3)9-10-28(29)37-31(39)17-20-7-8-21(13-25(20)34)27-5-4-6-32(38-27)44-19-24-14-26(35)23(18-36)16-30(24)42-2;1-40-13-12-38-26-16-22(31(39)41-2)9-10-25(26)36-29(38)17-20-7-8-21(15-23(20)33)24-4-3-5-30(37-24)42-18-19-6-11-27-28(14-19)44-32(34,35)43-27;1-39-14-13-37-28-16-22(32(38)41-3)10-12-27(28)35-30(37)17-20-7-8-21(15-25(20)34)26-5-4-6-31(36-26)42-19-23-9-11-24(33)18-29(23)40-2/h3-4,6-7,9-14,18-19H,5,8,15-17,20-21H2,1-2H3;4-12,15-17H,13-14,18-19H2,1-3H3;3-11,14-16,33H,12-13,17,19H2,1-2H3;4-10,13-16H,11-12,17,19H2,1-3H3;3-11,14-16H,12-13,17-18H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3
InChIKeyNJWBMKYFARGFOX-UHFFFAOYSA-N
MW3599.61 g/mol
LogP37.36
Rot. Bonds65

About methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 159801614) has the molecular formula C197H171F15N20O31 and a molecular weight of 3599.61 g/mol. Its IUPAC name is methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID159801614
Molecular FormulaC197H171F15N20O31
Molecular Weight3599.61 g/mol
Exact Mass3597.22
IUPAC Namemethyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCc4cc(C(F)(F)F)ccc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cc(F)c(C#N)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4OC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc5c(c4)OC(F)(F)O5)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4OCCC5)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C34H32FN3O5.C33H29F4N3O5.C33H27F3N4O5.C33H28F2N4O5.C32H26F3N3O6.C32H29F2N3O5/c1-40-17-15-38-30-19-25(34(39)41-2)13-14-29(30)36-31(38)20-23-11-12-24(18-27(23)35)28-9-4-10-32(37-28)43-21-26-7-3-6-22-8-5-16-42-33(22)26;1-42-14-13-40-28-17-22(32(41)44-3)9-11-27(28)38-30(40)18-20-7-8-21(16-25(20)34)26-5-4-6-31(39-26)45-19-23-15-24(33(35,36)37)10-12-29(23)43-2;1-42-13-12-40-28-16-23(32(41)43-2)10-11-27(28)38-30(40)17-21-8-9-22(15-25(21)34)26-4-3-5-31(39-26)44-19-24-7-6-20(18-37)14-29(24)45-33(35)36;1-41-12-11-39-29-15-22(33(40)43-3)9-10-28(29)37-31(39)17-20-7-8-21(13-25(20)34)27-5-4-6-32(38-27)44-19-24-14-26(35)23(18-36)16-30(24)42-2;1-40-13-12-38-26-16-22(31(39)41-2)9-10-25(26)36-29(38)17-20-7-8-21(15-23(20)33)24-4-3-5-30(37-24)42-18-19-6-11-27-28(14-19)44-32(34,35)43-27;1-39-14-13-37-28-16-22(32(38)41-3)10-12-27(28)35-30(37)17-20-7-8-21(15-25(20)34)26-5-4-6-31(36-26)42-19-23-9-11-24(33)18-29(23)40-2/h3-4,6-7,9-14,18-19H,5,8,15-17,20-21H2,1-2H3;4-12,15-17H,13-14,18-19H2,1-3H3;3-11,14-16,33H,12-13,17,19H2,1-2H3;4-10,13-16H,11-12,17,19H2,1-3H3;3-11,14-16H,12-13,17-18H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3
InChIKeyNJWBMKYFARGFOX-UHFFFAOYSA-N
XLogP37.36
TPSA565.01 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds65
Heavy Atoms263
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003599.61
LogP ≤ 537.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 159801614) is methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2ccc(-c3cccc(OCc4cc(C(F)(F)F)ccc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cc(F)c(C#N)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4OC(F)F)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(F)cc4OC)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc5c(c4)OC(F)(F)O5)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4cccc5c4OCCC5)n3)cc2F)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is NJWBMKYFARGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O5.C33H29F4N3O5.C33H27F3N4O5.C33H28F2N4O5.C32H26F3N3O6.C32H29F2N3O5/c1-40-17-15-38-30-19-25(34(39)41-2)13-14-29(30)36-31(38)20-23-11-12-24(18-27(23)35)28-9-4-10-32(37-28)43-21-26-7-3-6-22-8-5-16-42-33(22)26;1-42-14-13-40-28-17-22(32(41)44-3)9-11-27(28)38-30(40)18-20-7-8-21(16-25(20)34)26-5-4-6-31(39-26)45-19-23-15-24(33(35,36)37)10-12-29(23)43-2;1-42-13-12-40-28-16-23(32(41)43-2)10-11-27(28)38-30(40)17-21-8-9-22(15-25(21)34)26-4-3-5-31(39-26)44-19-24-7-6-20(18-37)14-29(24)45-33(35)36;1-41-12-11-39-29-15-22(33(40)43-3)9-10-28(29)37-31(39)17-20-7-8-21(13-25(20)34)27-5-4-6-32(38-27)44-19-24-14-26(35)23(18-36)16-30(24)42-2;1-40-13-12-38-26-16-22(31(39)41-2)9-10-25(26)36-29(38)17-20-7-8-21(15-23(20)33)24-4-3-5-30(37-24)42-18-19-6-11-27-28(14-19)44-32(34,35)43-27;1-39-14-13-37-28-16-22(32(38)41-3)10-12-27(28)35-30(37)17-20-7-8-21(15-25(20)34)26-5-4-6-31(36-26)42-19-23-9-11-24(33)18-29(23)40-2/h3-4,6-7,9-14,18-19H,5,8,15-17,20-21H2,1-2H3;4-12,15-17H,13-14,18-19H2,1-3H3;3-11,14-16,33H,12-13,17,19H2,1-2H3;4-10,13-16H,11-12,17,19H2,1-3H3;3-11,14-16H,12-13,17-18H2,1-2H3;4-12,15-16,18H,13-14,17,19H2,1-3H3.
What are the key properties of methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 3599.61 g/mol, XLogP of 37.36, 65 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[6-[[4-cyano-2-(difluoromethoxy)phenyl]methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-5-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-(3,4-dihydro-2H-chromen-8-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(4-fluoro-2-methoxyphenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 159801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).