N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C92H88F10N16O17 — CID 157482803

About N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157482803) has the molecular formula C92H88F10N16O17 and a molecular weight of 1879.79 g/mol. Its IUPAC name is N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 157482803
• Molecular Formula: C92H88F10N16O17
• Molecular Weight: 1879.79 g/mol
• Exact Mass: 1878.64
• IUPAC Name: N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.N#Cc1cccc(C(O)=Cc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC(F)CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1[C@@H]1C[C@H]1CO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H25F3N4O5.C23H21F3N4O4.C23H22N4O4.C22H20F4N4O4/c1-14(6-8-32)31-18-12-20(35-2)19(30-7-9-36-13-21(30)33)11-17(18)28-23(31)29-22(34)15-4-3-5-16(10-15)24(25,26)27;24-23(25,26)15-4-1-3-13(9-15)20(32)28-21-27-17-11-16(29-7-2-8-34-22(29)33)5-6-18(17)30(21)19-10-14(19)12-31;24-14-16-3-1-4-17(11-16)21(29)13-22-25-19-12-18(26-8-10-31-15-23(26)30)5-6-20(19)27(22)7-2-9-28;23-15(12-31)11-30-18-6-5-16(29-7-2-8-34-21(29)33)10-17(18)27-20(30)28-19(32)13-3-1-4-14(9-13)22(24,25)26/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);1,3-6,9,11,14,19,31H,2,7-8,10,12H2,(H,27,28,32);1,3-6,11-13,28-29H,2,7-10,15H2;1,3-6,9-10,15,31H,2,7-8,11-12H2,(H,27,28,32)/t14-;14-,19+;;/m10../s1
• InChIKey: ZOVSZFUAVIFJBR-RLFALXAISA-N
• XLogP: 14.52
• TPSA: 410.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1879.79
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 157482803) is N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.N#Cc1cccc(C(O)=Cc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC(F)CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1[C@@H]1C[C@H]1CO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is ZOVSZFUAVIFJBR-RLFALXAISA-N. The full InChI is InChI=1S/C24H25F3N4O5.C23H21F3N4O4.C23H22N4O4.C22H20F4N4O4/c1-14(6-8-32)31-18-12-20(35-2)19(30-7-9-36-13-21(30)33)11-17(18)28-23(31)29-22(34)15-4-3-5-16(10-15)24(25,26)27;24-23(25,26)15-4-1-3-13(9-15)20(32)28-21-27-17-11-16(29-7-2-8-34-22(29)33)5-6-18(17)30(21)19-10-14(19)12-31;24-14-16-3-1-4-17(11-16)21(29)13-22-25-19-12-18(26-8-10-31-15-23(26)30)5-6-20(19)27(22)7-2-9-28;23-15(12-31)11-30-18-6-5-16(29-7-2-8-34-21(29)33)10-17(18)27-20(30)28-19(32)13-3-1-4-14(9-13)22(24,25)26/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);1,3-6,9,11,14,19,31H,2,7-8,10,12H2,(H,27,28,32);1,3-6,11-13,28-29H,2,7-10,15H2;1,3-6,9-10,15,31H,2,7-8,11-12H2,(H,27,28,32)/t14-;14-,19+;;/m10../s1.

What are the key properties of N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1879.79 g/mol, XLogP of 14.52, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).