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

C96H102F10N16O16 — CID 158690083

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

3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158690083) has the molecular formula C96H102F10N16O16 and a molecular weight of 1925.95 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158690083
• Molecular Formula: C96H102F10N16O16
• Molecular Weight: 1925.95 g/mol
• Exact Mass: 1924.75
• IUPAC Name: 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.CC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n(CCCO)c2c1.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)F)c3)n(CCCO)c2c1
• InChI: InChI=1S/2C24H25F3N4O4.2C24H26F2N4O4/c1-23(2)9-12-35-22(34)31(23)17-7-8-19-18(14-17)28-21(30(19)10-4-11-32)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-23(2)9-12-35-22(34)31(23)17-7-8-18-19(14-17)30(10-4-11-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-24(2)9-12-34-23(33)30(24)17-7-8-19-18(14-17)27-22(29(19)10-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26;1-24(2)9-12-34-23(33)30(24)17-7-8-18-19(14-17)29(10-4-11-31)22(27-18)28-21(32)16-6-3-5-15(13-16)20(25)26/h2*3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33);2*3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32)
• InChIKey: IGFRPMBMDDYDQJ-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 386.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.95
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158690083) is 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.CC1(C)CCOC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n(CCCO)c2c1.CC1(C)CCOC(=O)N1c1ccc2nc(NC(=O)c3cccc(C(F)F)c3)n(CCCO)c2c1.

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

The InChIKey is IGFRPMBMDDYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25F3N4O4.2C24H26F2N4O4/c1-23(2)9-12-35-22(34)31(23)17-7-8-19-18(14-17)28-21(30(19)10-4-11-32)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-23(2)9-12-35-22(34)31(23)17-7-8-18-19(14-17)30(10-4-11-32)21(28-18)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-24(2)9-12-34-23(33)30(24)17-7-8-19-18(14-17)27-22(29(19)10-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26;1-24(2)9-12-34-23(33)30(24)17-7-8-18-19(14-17)29(10-4-11-31)22(27-18)28-21(32)16-6-3-5-15(13-16)20(25)26/h2*3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33);2*3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32).

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

3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1925.95 g/mol, XLogP of 19.10, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;N-[5-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(4,4-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158690083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).