3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide

C91H100F2N20O19S2 — CID 159503053

IUPAC3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide
SMILESCC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.NS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H28F2N4O3.C23H27N5O6S.C22H22N6O4.C21H23N5O6S/c1-25(2)10-4-11-30(23(25)34)18-8-9-20-19(15-18)28-24(31(20)12-5-13-32)29-22(33)17-7-3-6-16(14-17)21(26)27;1-26(2)35(32,33)18-6-3-5-16(13-18)22(31)25-23-24-19-14-17(27-10-12-34-15-21(27)30)7-8-20(19)28(23)9-4-11-29;29-8-1-6-28-19-5-3-15(27-7-9-32-12-20(27)30)11-18(19)25-22(28)26-21(31)14-2-4-16-17(10-14)24-13-23-16;22-33(30,31)16-4-1-3-14(11-16)20(29)24-21-23-17-12-15(25-8-10-32-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h3,6-9,14-15,21,32H,4-5,10-13H2,1-2H3,(H,28,29,33);3,5-8,13-14,29H,4,9-12,15H2,1-2H3,(H,24,25,31);2-5,10-11,13,29H,1,6-9,12H2,(H,23,24)(H,25,26,31);1,3-6,11-12,27H,2,7-10,13H2,(H2,22,30,31)(H,23,24,29)
InChIKeyLZQDDVZVRBJPSV-UHFFFAOYSA-N
MW1880.05 g/mol
LogP8.64
Rot. Bonds28

About 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide

3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide (PubChem CID 159503053) has the molecular formula C91H100F2N20O19S2 and a molecular weight of 1880.05 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide
PubChem CID159503053
Molecular FormulaC91H100F2N20O19S2
Molecular Weight1880.05 g/mol
Exact Mass1878.69
IUPAC Name3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide
SMILESCC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.NS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H28F2N4O3.C23H27N5O6S.C22H22N6O4.C21H23N5O6S/c1-25(2)10-4-11-30(23(25)34)18-8-9-20-19(15-18)28-24(31(20)12-5-13-32)29-22(33)17-7-3-6-16(14-17)21(26)27;1-26(2)35(32,33)18-6-3-5-16(13-18)22(31)25-23-24-19-14-17(27-10-12-34-15-21(27)30)7-8-20(19)28(23)9-4-11-29;29-8-1-6-28-19-5-3-15(27-7-9-32-12-20(27)30)11-18(19)25-22(28)26-21(31)14-2-4-16-17(10-14)24-13-23-16;22-33(30,31)16-4-1-3-14(11-16)20(29)24-21-23-17-12-15(25-8-10-32-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h3,6-9,14-15,21,32H,4-5,10-13H2,1-2H3,(H,28,29,33);3,5-8,13-14,29H,4,9-12,15H2,1-2H3,(H,24,25,31);2-5,10-11,13,29H,1,6-9,12H2,(H,23,24)(H,25,26,31);1,3-6,11-12,27H,2,7-10,13H2,(H2,22,30,31)(H,23,24,29)
InChIKeyLZQDDVZVRBJPSV-UHFFFAOYSA-N
XLogP8.64
TPSA503.75 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.05
LogP ≤ 58.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide (CID 159503053) is 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide is CC1(C)CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.NS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The InChIKey is LZQDDVZVRBJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O3.C23H27N5O6S.C22H22N6O4.C21H23N5O6S/c1-25(2)10-4-11-30(23(25)34)18-8-9-20-19(15-18)28-24(31(20)12-5-13-32)29-22(33)17-7-3-6-16(14-17)21(26)27;1-26(2)35(32,33)18-6-3-5-16(13-18)22(31)25-23-24-19-14-17(27-10-12-34-15-21(27)30)7-8-20(19)28(23)9-4-11-29;29-8-1-6-28-19-5-3-15(27-7-9-32-12-20(27)30)11-18(19)25-22(28)26-21(31)14-2-4-16-17(10-14)24-13-23-16;22-33(30,31)16-4-1-3-14(11-16)20(29)24-21-23-17-12-15(25-8-10-32-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h3,6-9,14-15,21,32H,4-5,10-13H2,1-2H3,(H,28,29,33);3,5-8,13-14,29H,4,9-12,15H2,1-2H3,(H,24,25,31);2-5,10-11,13,29H,1,6-9,12H2,(H,23,24)(H,25,26,31);1,3-6,11-12,27H,2,7-10,13H2,(H2,22,30,31)(H,23,24,29).
What are the key properties of 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide has a molecular weight of 1880.05 g/mol, XLogP of 8.64, 28 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 159503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).