N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C94H86F14N16O16S — CID 162195859

About N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 162195859) has the molecular formula C94H86F14N16O16S and a molecular weight of 1993.86 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 162195859
• Molecular Formula: C94H86F14N16O16S
• Molecular Weight: 1993.86 g/mol
• Exact Mass: 1992.59
• IUPAC Name: N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CC(F)(F)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1COC1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H25F3N4O4.C23H19F5N4O3.C23H21F3N4O5S.C23H21F3N4O4/c26-25(27,28)18-4-1-3-17(13-18)22(33)30-23-29-20-14-19(31-9-2-10-36-24(31)34)5-6-21(20)32(23)15-16-7-11-35-12-8-16;24-22(25)11-16(12-22)32-18-6-5-15(31-7-2-8-35-21(31)34)10-17(18)29-20(32)30-19(33)13-3-1-4-14(9-13)23(26,27)28;24-23(25,26)15-4-1-3-14(11-15)20(31)28-21-27-18-12-16(29-8-2-9-35-22(29)32)5-6-19(18)30(21)17-7-10-36(33,34)13-17;24-23(25,26)16-4-1-3-15(9-16)20(31)28-21-27-18-10-17(29-7-2-8-34-22(29)32)5-6-19(18)30(21)11-14-12-33-13-14/h1,3-6,13-14,16H,2,7-12,15H2,(H,29,30,33);1,3-6,9-10,16H,2,7-8,11-12H2,(H,29,30,33);1,3-6,11-12,17H,2,7-10,13H2,(H,27,28,31);1,3-6,9-10,14H,2,7-8,11-13H2,(H,27,28,31)
• InChIKey: ZQXRPWGPGCYUKF-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 358.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.86
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	4
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 N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 162195859) is N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CC(F)(F)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1COC1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is ZQXRPWGPGCYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C23H19F5N4O3.C23H21F3N4O5S.C23H21F3N4O4/c26-25(27,28)18-4-1-3-17(13-18)22(33)30-23-29-20-14-19(31-9-2-10-36-24(31)34)5-6-21(20)32(23)15-16-7-11-35-12-8-16;24-22(25)11-16(12-22)32-18-6-5-15(31-7-2-8-35-21(31)34)10-17(18)29-20(32)30-19(33)13-3-1-4-14(9-13)23(26,27)28;24-23(25,26)15-4-1-3-14(11-15)20(31)28-21-27-18-12-16(29-8-2-9-35-22(29)32)5-6-19(18)30(21)17-7-10-36(33,34)13-17;24-23(25,26)16-4-1-3-15(9-16)20(31)28-21-27-18-10-17(29-7-2-8-34-22(29)32)5-6-19(18)30(21)11-14-12-33-13-14/h1,3-6,13-14,16H,2,7-12,15H2,(H,29,30,33);1,3-6,9-10,16H,2,7-8,11-12H2,(H,29,30,33);1,3-6,11-12,17H,2,7-10,13H2,(H,27,28,31);1,3-6,9-10,14H,2,7-8,11-13H2,(H,27,28,31).

What are the key properties of N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1993.86 g/mol, XLogP of 19.02, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,3-difluorocyclobutyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-4-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxetan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162195859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).