3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide

C91H96F7N17O18S3 — CID 160795818

IUPAC3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide
SMILESCC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CS(=O)(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C25H27F3N4O3.C22H22F2N4O5S.C22H22F2N4O4S.C22H25N5O6S/c1-24(2)10-4-11-31(22(24)35)18-8-9-20-19(15-18)29-23(32(20)12-5-13-33)30-21(34)16-6-3-7-17(14-16)25(26,27)28;1-34(31,32)10-8-28-18-6-5-16(27-7-9-33-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-33(31)10-8-28-18-6-5-16(27-7-9-32-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-23-34(31,32)17-5-2-4-15(12-17)21(30)25-22-24-18-13-16(26-9-11-33-14-20(26)29)6-7-19(18)27(22)8-3-10-28/h3,6-9,14-15,33H,4-5,10-13H2,1-2H3,(H,29,30,34);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2,4-7,12-13,23,28H,3,8-11,14H2,1H3,(H,24,25,30)
InChIKeySCKSXWVNYRAVGR-UHFFFAOYSA-N
MW1945.06 g/mol
LogP11.39
Rot. Bonds28

About 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide

3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide (PubChem CID 160795818) has the molecular formula C91H96F7N17O18S3 and a molecular weight of 1945.06 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide
PubChem CID160795818
Molecular FormulaC91H96F7N17O18S3
Molecular Weight1945.06 g/mol
Exact Mass1943.62
IUPAC Name3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide
SMILESCC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CS(=O)(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C25H27F3N4O3.C22H22F2N4O5S.C22H22F2N4O4S.C22H25N5O6S/c1-24(2)10-4-11-31(22(24)35)18-8-9-20-19(15-18)29-23(32(20)12-5-13-33)30-21(34)16-6-3-7-17(14-16)25(26,27)28;1-34(31,32)10-8-28-18-6-5-16(27-7-9-33-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-33(31)10-8-28-18-6-5-16(27-7-9-32-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-23-34(31,32)17-5-2-4-15(12-17)21(30)25-22-24-18-13-16(26-9-11-33-14-20(26)29)6-7-19(18)27(22)8-3-10-28/h3,6-9,14-15,33H,4-5,10-13H2,1-2H3,(H,29,30,34);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2,4-7,12-13,23,28H,3,8-11,14H2,1H3,(H,24,25,30)
InChIKeySCKSXWVNYRAVGR-UHFFFAOYSA-N
XLogP11.39
TPSA434.45 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.06
LogP ≤ 511.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide (CID 160795818) is 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide is CC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CS(=O)(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide?
The InChIKey is SCKSXWVNYRAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3.C22H22F2N4O5S.C22H22F2N4O4S.C22H25N5O6S/c1-24(2)10-4-11-31(22(24)35)18-8-9-20-19(15-18)29-23(32(20)12-5-13-33)30-21(34)16-6-3-7-17(14-16)25(26,27)28;1-34(31,32)10-8-28-18-6-5-16(27-7-9-33-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-33(31)10-8-28-18-6-5-16(27-7-9-32-13-19(27)29)12-17(18)25-22(28)26-21(30)15-4-2-3-14(11-15)20(23)24;1-23-34(31,32)17-5-2-4-15(12-17)21(30)25-22-24-18-13-16(26-9-11-33-14-20(26)29)6-7-19(18)27(22)8-3-10-28/h3,6-9,14-15,33H,4-5,10-13H2,1-2H3,(H,29,30,34);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2-6,11-12,20H,7-10,13H2,1H3,(H,25,26,30);2,4-7,12-13,23,28H,3,8-11,14H2,1H3,(H,24,25,30).
What are the key properties of 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide?
3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide has a molecular weight of 1945.06 g/mol, XLogP of 11.39, 28 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 160795818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).