3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide

C92H96F3N19O18S — CID 160625010

About 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide

3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide (PubChem CID 160625010) has the molecular formula C92H96F3N19O18S and a molecular weight of 1844.96 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide
• PubChem CID: 160625010
• Molecular Formula: C92H96F3N19O18S
• Molecular Weight: 1844.96 g/mol
• Exact Mass: 1843.69
• IUPAC Name: 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide
• SMILES: CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCCO)c1.Cn1cnc2ccc(C(=O)Nc3nc4cc(N5CCOCC5=O)ccc4n3CCCO)cc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCCO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H23F3N4O4.C23H24N6O4.C23H23N5O4.C23H26N4O6S/c24-23(25,26)16-5-3-4-15(12-16)21(33)28-22-27-18-13-17(29-9-11-34-14-20(29)32)6-7-19(18)30(22)8-1-2-10-31;1-27-14-24-17-5-3-15(11-20(17)27)22(32)26-23-25-18-12-16(28-8-10-33-13-21(28)31)4-6-19(18)29(23)7-2-9-30;24-14-16-4-3-5-17(12-16)22(31)26-23-25-19-13-18(27-9-11-32-15-21(27)30)6-7-20(19)28(23)8-1-2-10-29;1-34(31,32)18-6-4-5-16(13-18)22(30)25-23-24-19-14-17(26-10-12-33-15-21(26)29)7-8-20(19)27(23)9-2-3-11-28/h3-7,12-13,31H,1-2,8-11,14H2,(H,27,28,33);3-6,11-12,14,30H,2,7-10,13H2,1H3,(H,25,26,32);3-7,12-13,29H,1-2,8-11,15H2,(H,25,26,31);4-8,13-14,28H,2-3,9-12,15H2,1H3,(H,24,25,30)
• InChIKey: RHELNZLYAINLBA-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 462.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1844.96
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide?

The IUPAC name of 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide (CID 160625010) is 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide.

What is the SMILES notation for 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide?

The canonical SMILES for 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide is CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCCO)c1.Cn1cnc2ccc(C(=O)Nc3nc4cc(N5CCOCC5=O)ccc4n3CCCO)cc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCCO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide?

The InChIKey is RHELNZLYAINLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4.C23H24N6O4.C23H23N5O4.C23H26N4O6S/c24-23(25,26)16-5-3-4-15(12-16)21(33)28-22-27-18-13-17(29-9-11-34-14-20(29)32)6-7-19(18)30(22)8-1-2-10-31;1-27-14-24-17-5-3-15(11-20(17)27)22(32)26-23-25-18-12-16(28-8-10-33-13-21(28)31)4-6-19(18)29(23)7-2-9-30;24-14-16-4-3-5-17(12-16)22(31)26-23-25-19-13-18(27-9-11-32-15-21(27)30)6-7-20(19)28(23)8-1-2-10-29;1-34(31,32)18-6-4-5-16(13-18)22(30)25-23-24-19-14-17(26-10-12-33-15-21(26)29)7-8-20(19)27(23)9-2-3-11-28/h3-7,12-13,31H,1-2,8-11,14H2,(H,27,28,33);3-6,11-12,14,30H,2,7-10,13H2,1H3,(H,25,26,32);3-7,12-13,29H,1-2,8-11,15H2,(H,25,26,31);4-8,13-14,28H,2-3,9-12,15H2,1H3,(H,24,25,30).

What are the key properties of 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide?

3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide has a molecular weight of 1844.96 g/mol, XLogP of 9.49, 28 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 160625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).