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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C94H89F9N18O19S2 — CID 158356587

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158356587) has the molecular formula C94H89F9N18O19S2 and a molecular weight of 2009.97 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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158356587
• Molecular Formula: C94H89F9N18O19S2
• Molecular Weight: 2009.97 g/mol
• Exact Mass: 2008.58
• 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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• 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(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCCOC4=O)ccc32)CN1
• InChI: InChI=1S/C27H27N5O5.C23H20F3N5O4.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;24-23(25,26)14-4-1-3-13(9-14)20(33)29-21-28-17-10-15(30-7-2-8-35-22(30)34)5-6-18(17)31(21)16-11-19(32)27-12-16;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);1,3-6,9-10,16H,2,7-8,11-12H2,(H,27,32)(H,28,29,33);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;16-;;/m.0../s1
• InChIKey: GSYKSDGVCGPLTR-JVNATMDVSA-N
• XLogP: 12.09
• TPSA: 451.77 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	2009.97
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158356587) 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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide 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(NC(=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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is GSYKSDGVCGPLTR-JVNATMDVSA-N. The full InChI is InChI=1S/C27H27N5O5.C23H20F3N5O4.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;24-23(25,26)14-4-1-3-13(9-14)20(33)29-21-28-17-10-15(30-7-2-8-35-22(30)34)5-6-18(17)31(21)16-11-19(32)27-12-16;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);1,3-6,9-10,16H,2,7-8,11-12H2,(H,27,32)(H,28,29,33);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;16-;;/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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2009.97 g/mol, XLogP of 12.09, 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;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158356587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).