3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C96H92F14N16O16 — CID 159393712

About 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159393712) has the molecular formula C96H92F14N16O16 and a molecular weight of 1991.86 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159393712
• Molecular Formula: C96H92F14N16O16
• Molecular Weight: 1991.86 g/mol
• Exact Mass: 1990.67
• IUPAC Name: 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC(F)(CO)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)COC1)c1cccc(C(F)F)c1
• InChI: InChI=1S/C25H24F4N4O4.C25H25F3N4O4.C23H22F4N4O4.C23H21F3N4O4/c26-24(7-11-36-12-8-24)15-33-20-6-5-18(32-9-2-10-37-23(32)35)14-19(20)30-22(33)31-21(34)16-3-1-4-17(13-16)25(27,28)29;26-21(27)16-3-1-4-17(13-16)22(33)30-23-29-19-14-18(31-9-2-10-36-24(31)34)5-6-20(19)32(23)15-25(28)7-11-35-12-8-25;1-22(24,13-32)12-31-18-7-6-16(30-8-3-9-35-21(30)34)11-17(18)28-20(31)29-19(33)14-4-2-5-15(10-14)23(25,26)27;24-19(25)14-3-1-4-15(9-14)20(31)28-21-27-17-10-16(29-7-2-8-34-22(29)32)5-6-18(17)30(21)11-23(26)12-33-13-23/h1,3-6,13-14H,2,7-12,15H2,(H,30,31,34);1,3-6,13-14,21H,2,7-12,15H2,(H,29,30,33);2,4-7,10-11,32H,3,8-9,12-13H2,1H3,(H,28,29,33);1,3-6,9-10,19H,2,7-8,11-13H2,(H,27,28,31)
• InChIKey: LMLFTGDNGXOCFJ-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 353.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.86
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	5
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-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159393712) is 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(F)(CO)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)COC1)c1cccc(C(F)F)c1.

What is the InChIKey of 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is LMLFTGDNGXOCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O4.C25H25F3N4O4.C23H22F4N4O4.C23H21F3N4O4/c26-24(7-11-36-12-8-24)15-33-20-6-5-18(32-9-2-10-37-23(32)35)14-19(20)30-22(33)31-21(34)16-3-1-4-17(13-16)25(27,28)29;26-21(27)16-3-1-4-17(13-16)22(33)30-23-29-19-14-18(31-9-2-10-36-24(31)34)5-6-20(19)32(23)15-25(28)7-11-35-12-8-25;1-22(24,13-32)12-31-18-7-6-16(30-8-3-9-35-21(30)34)11-17(18)28-20(31)29-19(33)14-4-2-5-15(10-14)23(25,26)27;24-19(25)14-3-1-4-15(9-14)20(31)28-21-27-17-10-16(29-7-2-8-34-22(29)32)5-6-18(17)30(21)11-23(26)12-33-13-23/h1,3-6,13-14H,2,7-12,15H2,(H,30,31,34);1,3-6,13-14,21H,2,7-12,15H2,(H,29,30,33);2,4-7,10-11,32H,3,8-9,12-13H2,1H3,(H,28,29,33);1,3-6,9-10,19H,2,7-8,11-13H2,(H,27,28,31).

What are the key properties of 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1991.86 g/mol, XLogP of 18.95, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159393712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).