N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C93H91F13N18O15 — CID 159766910

About N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159766910) has the molecular formula C93H91F13N18O15 and a molecular weight of 1947.84 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159766910
• Molecular Formula: C93H91F13N18O15
• Molecular Weight: 1947.84 g/mol
• Exact Mass: 1946.67
• IUPAC Name: N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1nc2cc(N3C(=O)CN4CCC3CC4)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CC4CC(N4)C3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)c(OC(F)F)cc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)cc(F)c2n1CCCO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H27F2N5O3.C23H21F5N4O5.C23H23F2N5O3.C22H20F4N4O4/c26-23(27)16-3-1-4-17(13-16)24(35)29-25-28-20-14-19(5-6-21(20)31(25)9-2-12-33)32-18-7-10-30(11-8-18)15-22(32)34;24-21(25)37-18-11-16-15(10-17(18)31-6-8-36-12-19(31)34)29-22(32(16)5-2-7-33)30-20(35)13-3-1-4-14(9-13)23(26,27)28;24-20(25)13-3-1-4-14(9-13)21(32)28-23-27-17-11-16(5-6-19(17)29(23)7-2-8-31)30-12-15-10-18(26-15)22(30)33;23-16-10-15(29-6-8-34-12-18(29)32)11-17-19(16)30(5-2-7-31)21(27-17)28-20(33)13-3-1-4-14(9-13)22(24,25)26/h1,3-6,13-14,18,23,33H,2,7-12,15H2,(H,28,29,35);1,3-4,9-11,21,33H,2,5-8,12H2,(H,29,30,35);1,3-6,9,11,15,18,20,26,31H,2,7-8,10,12H2,(H,27,28,32);1,3-4,9-11,31H,2,5-8,12H2,(H,27,28,33)
• InChIKey: NFPTWSVHYNXESH-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 392.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.84
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159766910) is N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3C(=O)CN4CCC3CC4)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CC4CC(N4)C3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)c(OC(F)F)cc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)cc(F)c2n1CCCO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is NFPTWSVHYNXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3.C23H21F5N4O5.C23H23F2N5O3.C22H20F4N4O4/c26-23(27)16-3-1-4-17(13-16)24(35)29-25-28-20-14-19(5-6-21(20)31(25)9-2-12-33)32-18-7-10-30(11-8-18)15-22(32)34;24-21(25)37-18-11-16-15(10-17(18)31-6-8-36-12-19(31)34)29-22(32(16)5-2-7-33)30-20(35)13-3-1-4-14(9-13)23(26,27)28;24-20(25)13-3-1-4-14(9-13)21(32)28-23-27-17-11-16(5-6-19(17)29(23)7-2-8-31)30-12-15-10-18(26-15)22(30)33;23-16-10-15(29-6-8-34-12-18(29)32)11-17-19(16)30(5-2-7-31)21(27-17)28-20(33)13-3-1-4-14(9-13)22(24,25)26/h1,3-6,13-14,18,23,33H,2,7-12,15H2,(H,28,29,35);1,3-4,9-11,21,33H,2,5-8,12H2,(H,29,30,35);1,3-6,9,11,15,18,20,26,31H,2,7-8,10,12H2,(H,27,28,32);1,3-4,9-11,31H,2,5-8,12H2,(H,27,28,33).

What are the key properties of N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1947.84 g/mol, XLogP of 12.95, 28 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159766910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).