N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C₉₄H₉₆F₁₀N₁₆O₁₉ — CID 159319765

About N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159319765) has the molecular formula C₉₄H₉₆F₁₀N₁₆O₁₉ and a molecular weight of 1946.89 g/mol. Its IUPAC name is N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159319765
• Molecular Formula: C₉₄H₉₆F₁₀N₁₆O₁₉
• Molecular Weight: 1946.89 g/mol
• Exact Mass: 1945.71
• IUPAC Name: N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: COc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.COc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCOCC3=O)c(C3CC3)cc2n1CCCO)c1cccc(C(F)(F)F)c1.[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
• InChI: InChI=1S/C25H25F3N4O4.C23H23F3N4O5.2C23H24F2N4O5/c26-25(27,28)17-4-1-3-16(11-17)23(35)30-24-29-19-13-20(31-8-10-36-14-22(31)34)18(15-5-6-15)12-21(19)32(24)7-2-9-33;1-34-19-13-17-16(12-18(19)30-8-4-10-35-22(30)33)27-21(29(17)7-3-9-31)28-20(32)14-5-2-6-15(11-14)23(24,25)26;2*1-33-19-13-17-16(12-18(19)29-8-4-10-34-23(29)32)26-22(28(17)7-3-9-30)27-21(31)15-6-2-5-14(11-15)20(24)25/h1,3-4,11-13,15,33H,2,5-10,14H2,(H,29,30,35);2,5-6,11-13,31H,3-4,7-10H2,1H3,(H,27,28,32);2*2,5-6,11-13,20,30H,3-4,7-10H2,1H3,(H,26,27,31)/i;;1D3
• InChIKey: LDPLZJLDWWTNDX-ASTPDCTMSA-N
• XLogP: 15.90
• TPSA: 414.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.89
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159319765) is N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is COc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.COc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCOCC3=O)c(C3CC3)cc2n1CCCO)c1cccc(C(F)(F)F)c1.[2H]C([2H])([2H])Oc1cc2c(cc1N1CCCOC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.

What is the InChIKey of N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is LDPLZJLDWWTNDX-ASTPDCTMSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C23H23F3N4O5.2C23H24F2N4O5/c26-25(27,28)17-4-1-3-16(11-17)23(35)30-24-29-19-13-20(31-8-10-36-14-22(31)34)18(15-5-6-15)12-21(19)32(24)7-2-9-33;1-34-19-13-17-16(12-18(19)30-8-4-10-35-22(30)33)27-21(29(17)7-3-9-31)28-20(32)14-5-2-6-15(11-14)23(24,25)26;2*1-33-19-13-17-16(12-18(19)29-8-4-10-34-23(29)32)26-22(28(17)7-3-9-30)27-21(31)15-6-2-5-14(11-15)20(24)25/h1,3-4,11-13,15,33H,2,5-10,14H2,(H,29,30,35);2,5-6,11-13,31H,3-4,7-10H2,1H3,(H,27,28,32);2*2,5-6,11-13,20,30H,3-4,7-10H2,1H3,(H,26,27,31)/i;;1D3;.

What are the key properties of N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1946.89 g/mol, XLogP of 15.90, 31 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methoxy-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159319765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159319765 — identifiers, structure, computed properties (public domain)

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