3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide

C89H90F7N17O17S — CID 159533811

IUPAC3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)cc1C(F)(F)F.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCS(=O)(=O)CC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1
InChIInChI=1S/C24H24F2N4O5S.C23H23F3N4O4.C22H22F2N4O4.C20H21N5O4/c25-22(26)15-2-1-3-16(12-15)23(32)28-24-27-19-13-18(29-8-9-35-14-21(29)31)4-5-20(19)30(24)17-6-10-36(33,34)11-7-17;1-14-3-4-15(11-17(14)23(24,25)26)21(33)28-22-27-18-12-16(29-8-10-34-13-20(29)32)5-6-19(18)30(22)7-2-9-31;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1-5,12-13,17,22H,6-11,14H2,(H,27,28,32);3-6,11-12,31H,2,7-10,13H2,1H3,(H,27,28,33);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28)
InChIKeyMDIKBIGADLCWRQ-UHFFFAOYSA-N
MW1834.85 g/mol
LogP11.10
Rot. Bonds24

About 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide

3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 159533811) has the molecular formula C89H90F7N17O17S and a molecular weight of 1834.85 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
PubChem CID159533811
Molecular FormulaC89H90F7N17O17S
Molecular Weight1834.85 g/mol
Exact Mass1833.63
IUPAC Name3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)cc1C(F)(F)F.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCS(=O)(=O)CC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1
InChIInChI=1S/C24H24F2N4O5S.C23H23F3N4O4.C22H22F2N4O4.C20H21N5O4/c25-22(26)15-2-1-3-16(12-15)23(32)28-24-27-19-13-18(29-8-9-35-14-21(29)31)4-5-20(19)30(24)17-6-10-36(33,34)11-7-17;1-14-3-4-15(11-17(14)23(24,25)26)21(33)28-22-27-18-12-16(29-8-10-34-13-20(29)32)5-6-19(18)30(22)7-2-9-31;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1-5,12-13,17,22H,6-11,14H2,(H,27,28,32);3-6,11-12,31H,2,7-10,13H2,1H3,(H,27,28,33);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28)
InChIKeyMDIKBIGADLCWRQ-UHFFFAOYSA-N
XLogP11.10
TPSA413.56 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.85
LogP ≤ 511.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide (CID 159533811) is 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)cc1C(F)(F)F.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCS(=O)(=O)CC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The InChIKey is MDIKBIGADLCWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O5S.C23H23F3N4O4.C22H22F2N4O4.C20H21N5O4/c25-22(26)15-2-1-3-16(12-15)23(32)28-24-27-19-13-18(29-8-9-35-14-21(29)31)4-5-20(19)30(24)17-6-10-36(33,34)11-7-17;1-14-3-4-15(11-17(14)23(24,25)26)21(33)28-22-27-18-12-16(29-8-10-34-13-20(29)32)5-6-19(18)30(22)7-2-9-31;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1-5,12-13,17,22H,6-11,14H2,(H,27,28,32);3-6,11-12,31H,2,7-10,13H2,1H3,(H,27,28,33);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28).
What are the key properties of 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 1834.85 g/mol, XLogP of 11.10, 24 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-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]-4-methyl-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159533811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).