N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one

C95H90F9N17O19S2 — CID 162243295

About N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one (PubChem CID 162243295) has the molecular formula C95H90F9N17O19S2 and a molecular weight of 2008.98 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one.

Molecular Properties

• Compound Name: N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one
• PubChem CID: 162243295
• Molecular Formula: C95H90F9N17O19S2
• Molecular Weight: 2008.98 g/mol
• Exact Mass: 2007.59
• IUPAC Name: N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one
• SMILES: Cn1ccc(-c2cccc(C(=O)Nc3nc4cc(N5CCOCC5=O)ccc4n3CCCO)c2)cc1=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(S(=O)(=O)C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(SC(F)(F)F)c1.O=C1C[C@H](n2c(C=C(O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCCOC4=O)ccc32)CN1
• InChI: InChI=1S/C27H27N5O5.C24H21F3N4O4.C22H21F3N4O6S.C22H21F3N4O4S/c1-30-10-8-19(15-24(30)34)18-4-2-5-20(14-18)26(36)29-27-28-22-16-21(31-11-13-37-17-25(31)35)6-7-23(22)32(27)9-3-12-33;25-24(26,27)15-4-1-3-14(9-15)20(32)12-21-29-18-10-16(30-7-2-8-35-23(30)34)5-6-19(18)31(21)17-11-22(33)28-13-17;23-22(24,25)36(33,34)16-4-1-3-14(11-16)20(32)27-21-26-17-12-15(28-8-10-35-13-19(28)31)5-6-18(17)29(21)7-2-9-30;23-22(24,25)34-16-4-1-3-14(11-16)20(32)27-21-26-17-12-15(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30/h2,4-8,10,14-16,33H,3,9,11-13,17H2,1H3,(H,28,29,36);1,3-6,9-10,12,17,32H,2,7-8,11,13H2,(H,28,33);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32)/t;17-;;/m.0../s1
• InChIKey: RSSVETJLOHWTOC-QZYXJWBZSA-N
• XLogP: 12.89
• TPSA: 442.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.98
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one?

The IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one (CID 162243295) is N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one.

What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one?

The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one is Cn1ccc(-c2cccc(C(=O)Nc3nc4cc(N5CCOCC5=O)ccc4n3CCCO)c2)cc1=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(S(=O)(=O)C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(SC(F)(F)F)c1.O=C1C[C@H](n2c(C=C(O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCCOC4=O)ccc32)CN1.

What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one?

The InChIKey is RSSVETJLOHWTOC-QZYXJWBZSA-N. The full InChI is InChI=1S/C27H27N5O5.C24H21F3N4O4.C22H21F3N4O6S.C22H21F3N4O4S/c1-30-10-8-19(15-24(30)34)18-4-2-5-20(14-18)26(36)29-27-28-22-16-21(31-11-13-37-17-25(31)35)6-7-23(22)32(27)9-3-12-33;25-24(26,27)15-4-1-3-14(9-15)20(32)12-21-29-18-10-16(30-7-2-8-35-23(30)34)5-6-19(18)31(21)17-11-22(33)28-13-17;23-22(24,25)36(33,34)16-4-1-3-14(11-16)20(32)27-21-26-17-12-15(28-8-10-35-13-19(28)31)5-6-18(17)29(21)7-2-9-30;23-22(24,25)34-16-4-1-3-14(11-16)20(32)27-21-26-17-12-15(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30/h2,4-8,10,14-16,33H,3,9,11-13,17H2,1H3,(H,28,29,36);1,3-6,9-10,12,17,32H,2,7-8,11,13H2,(H,28,33);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32)/t;17-;;/m.0../s1.

What are the key properties of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one?

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one has a molecular weight of 2008.98 g/mol, XLogP of 12.89, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one is sourced from PubChem (CID 162243295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).