3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one

C149H154F5N17O31S6 — CID 159518726

IUPAC3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one
SMILESCCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4F)ccc32)ccc1OC(F)F.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OCC)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ncccc4F)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nccnc4C)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)ccc32)ccc1OC
InChIInChI=1S/C27H30N2O6S.C25H23F3N2O5S.C25H25FN2O5S.C24H24FN3O5S.2C24H26N4O5S/c1-5-34-24-10-8-7-9-20(24)18-11-13-22-21(15-18)28-27(30)29(22)23(17-36(4,31)32)19-12-14-25(33-3)26(16-19)35-6-2;1-3-34-23-13-16(9-11-22(23)35-24(27)28)21(14-36(2,32)33)30-20-10-8-15(12-19(20)29-25(30)31)17-6-4-5-7-18(17)26;1-4-33-24-14-18(8-12-23(24)32-2)22(15-34(3,30)31)28-21-11-7-17(13-20(21)27-25(28)29)16-5-9-19(26)10-6-16;1-4-33-22-13-15(8-10-21(22)32-2)20(14-34(3,30)31)28-19-9-7-16(12-18(19)27-24(28)29)23-17(25)6-5-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)27-24(28)29)23-15(2)25-10-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)26-24(28)29)23-15(2)10-11-25-27-23/h7-16,23H,5-6,17H2,1-4H3,(H,28,30);4-13,21,24H,3,14H2,1-2H3,(H,29,31);5-14,22H,4,15H2,1-3H3,(H,27,29);5-13,20H,4,14H2,1-3H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,26,29)/t23-;21-;22-;3*20-/m000000/s1
InChIKeyMBNOFCXXBBNOTK-RXFKKYJXSA-N
MW2966.35 g/mol
LogP23.23
Rot. Bonds51

About 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one

3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one (PubChem CID 159518726) has the molecular formula C149H154F5N17O31S6 and a molecular weight of 2966.35 g/mol. Its IUPAC name is 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one
PubChem CID159518726
Molecular FormulaC149H154F5N17O31S6
Molecular Weight2966.35 g/mol
Exact Mass2963.92
IUPAC Name3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one
SMILESCCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4F)ccc32)ccc1OC(F)F.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OCC)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ncccc4F)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nccnc4C)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)ccc32)ccc1OC
InChIInChI=1S/C27H30N2O6S.C25H23F3N2O5S.C25H25FN2O5S.C24H24FN3O5S.2C24H26N4O5S/c1-5-34-24-10-8-7-9-20(24)18-11-13-22-21(15-18)28-27(30)29(22)23(17-36(4,31)32)19-12-14-25(33-3)26(16-19)35-6-2;1-3-34-23-13-16(9-11-22(23)35-24(27)28)21(14-36(2,32)33)30-20-10-8-15(12-19(20)29-25(30)31)17-6-4-5-7-18(17)26;1-4-33-24-14-18(8-12-23(24)32-2)22(15-34(3,30)31)28-21-11-7-17(13-20(21)27-25(28)29)16-5-9-19(26)10-6-16;1-4-33-22-13-15(8-10-21(22)32-2)20(14-34(3,30)31)28-19-9-7-16(12-18(19)27-24(28)29)23-17(25)6-5-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)27-24(28)29)23-15(2)25-10-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)26-24(28)29)23-15(2)10-11-25-27-23/h7-16,23H,5-6,17H2,1-4H3,(H,28,30);4-13,21,24H,3,14H2,1-2H3,(H,29,31);5-14,22H,4,15H2,1-3H3,(H,27,29);5-13,20H,4,14H2,1-3H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,26,29)/t23-;21-;22-;3*20-/m000000/s1
InChIKeyMBNOFCXXBBNOTK-RXFKKYJXSA-N
XLogP23.23
TPSA616.02 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.35
LogP ≤ 523.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one (CID 159518726) is 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one is CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccc(F)cc4)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4F)ccc32)ccc1OC(F)F.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ccccc4OCC)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4ncccc4F)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nccnc4C)ccc32)ccc1OC.CCOc1cc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)ccc32)ccc1OC.
What is the InChIKey of 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one?
The InChIKey is MBNOFCXXBBNOTK-RXFKKYJXSA-N. The full InChI is InChI=1S/C27H30N2O6S.C25H23F3N2O5S.C25H25FN2O5S.C24H24FN3O5S.2C24H26N4O5S/c1-5-34-24-10-8-7-9-20(24)18-11-13-22-21(15-18)28-27(30)29(22)23(17-36(4,31)32)19-12-14-25(33-3)26(16-19)35-6-2;1-3-34-23-13-16(9-11-22(23)35-24(27)28)21(14-36(2,32)33)30-20-10-8-15(12-19(20)29-25(30)31)17-6-4-5-7-18(17)26;1-4-33-24-14-18(8-12-23(24)32-2)22(15-34(3,30)31)28-21-11-7-17(13-20(21)27-25(28)29)16-5-9-19(26)10-6-16;1-4-33-22-13-15(8-10-21(22)32-2)20(14-34(3,30)31)28-19-9-7-16(12-18(19)27-24(28)29)23-17(25)6-5-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)27-24(28)29)23-15(2)25-10-11-26-23;1-5-33-22-13-16(7-9-21(22)32-3)20(14-34(4,30)31)28-19-8-6-17(12-18(19)26-24(28)29)23-15(2)10-11-25-27-23/h7-16,23H,5-6,17H2,1-4H3,(H,28,30);4-13,21,24H,3,14H2,1-2H3,(H,29,31);5-14,22H,4,15H2,1-3H3,(H,27,29);5-13,20H,4,14H2,1-3H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,27,29);6-13,20H,5,14H2,1-4H3,(H,26,29)/t23-;21-;22-;3*20-/m000000/s1.
What are the key properties of 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one?
3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one has a molecular weight of 2966.35 g/mol, XLogP of 23.23, 51 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 159518726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).