5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide

C128H109F6N19O18S4 — CID 158802591

IUPAC5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5cncc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc4c3ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(OC(F)(F)F)cc5)c4n3)cc12
InChIInChI=1S/C34H30F2N4O5S.C32H28N4O4S.C31H25F3N6O5S.C31H26FN5O4S/c1-18-7-9-20(10-8-18)33-31(34(41)37-3)26-16-25(27(17-29(26)45-33)39(4)46(6,42)43)21-11-28-32(30(12-21)44-5)38-19(2)40(28)24-14-22(35)13-23(36)15-24;1-20-13-15-21(16-14-20)31-29(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)23-11-8-12-26-30(23)34-19-36(26)22-9-6-5-7-10-22;1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)46(4,42)43)28-36-15-23-29(38-28)40(16-37-23)19-9-11-20(12-10-19)45-31(32,33)34;1-18-5-7-19(8-6-18)30-29(31(38)33-2)24-13-23(26(14-28(24)41-30)36(3)42(4,39)40)20-9-10-25-27(11-20)37(17-35-25)22-12-21(32)15-34-16-22/h7-17H,1-6H3,(H,37,41);5-19H,1-4H3,(H,33,37);5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38)
InChIKeyITRGAOSWTVEQLX-UHFFFAOYSA-N
MW2443.65 g/mol
LogP24.50
Rot. Bonds26

About 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide

5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 158802591) has the molecular formula C128H109F6N19O18S4 and a molecular weight of 2443.65 g/mol. Its IUPAC name is 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
PubChem CID158802591
Molecular FormulaC128H109F6N19O18S4
Molecular Weight2443.65 g/mol
Exact Mass2441.70
IUPAC Name5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5cncc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc4c3ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(OC(F)(F)F)cc5)c4n3)cc12
InChIInChI=1S/C34H30F2N4O5S.C32H28N4O4S.C31H25F3N6O5S.C31H26FN5O4S/c1-18-7-9-20(10-8-18)33-31(34(41)37-3)26-16-25(27(17-29(26)45-33)39(4)46(6,42)43)21-11-28-32(30(12-21)44-5)38-19(2)40(28)24-14-22(35)13-23(36)15-24;1-20-13-15-21(16-14-20)31-29(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)23-11-8-12-26-30(23)34-19-36(26)22-9-6-5-7-10-22;1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)46(4,42)43)28-36-15-23-29(38-28)40(16-37-23)19-9-11-20(12-10-19)45-31(32,33)34;1-18-5-7-19(8-6-18)30-29(31(38)33-2)24-13-23(26(14-28(24)41-30)36(3)42(4,39)40)20-9-10-25-27(11-20)37(17-35-25)22-12-21(32)15-34-16-22/h7-17H,1-6H3,(H,37,41);5-19H,1-4H3,(H,33,37);5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38)
InChIKeyITRGAOSWTVEQLX-UHFFFAOYSA-N
XLogP24.50
TPSA446.89 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.65
LogP ≤ 524.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide (CID 158802591) is 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5cncc(F)c5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc4c3ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(OC(F)(F)F)cc5)c4n3)cc12.
What is the InChIKey of 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is ITRGAOSWTVEQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N4O5S.C32H28N4O4S.C31H25F3N6O5S.C31H26FN5O4S/c1-18-7-9-20(10-8-18)33-31(34(41)37-3)26-16-25(27(17-29(26)45-33)39(4)46(6,42)43)21-11-28-32(30(12-21)44-5)38-19(2)40(28)24-14-22(35)13-23(36)15-24;1-20-13-15-21(16-14-20)31-29(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)23-11-8-12-26-30(23)34-19-36(26)22-9-6-5-7-10-22;1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)46(4,42)43)28-36-15-23-29(38-28)40(16-37-23)19-9-11-20(12-10-19)45-31(32,33)34;1-18-5-7-19(8-6-18)30-29(31(38)33-2)24-13-23(26(14-28(24)41-30)36(3)42(4,39)40)20-9-10-25-27(11-20)37(17-35-25)22-12-21(32)15-34-16-22/h7-17H,1-6H3,(H,37,41);5-19H,1-4H3,(H,33,37);5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38).
What are the key properties of 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 2443.65 g/mol, XLogP of 24.50, 26 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158802591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).