N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C98H98F13N17O13 — CID 158114214

About N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158114214) has the molecular formula C98H98F13N17O13 and a molecular weight of 1968.94 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158114214
• Molecular Formula: C98H98F13N17O13
• Molecular Weight: 1968.94 g/mol
• Exact Mass: 1967.73
• IUPAC Name: N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC(F)(F)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCCCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCCOC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1
• InChI: InChI=1S/C26H27F3N4O3.C25H25F3N4O4.C25H27F2N5O3.C22H19F5N4O3/c27-26(28,29)19-9-4-8-18(14-19)23(34)31-24-30-21-15-20(32-12-5-13-36-25(32)35)10-11-22(21)33(24)16-17-6-2-1-3-7-17;26-25(27,28)18-6-1-5-17(12-18)22(33)30-23-29-20-13-19(31-9-3-11-36-24(31)34)7-8-21(20)32(23)14-16-4-2-10-35-15-16;26-23(27)16-3-1-4-17(13-16)24(35)29-25-28-20-14-19(7-8-21(20)32(25)9-2-12-33)31-11-10-30(15-22(31)34)18-5-6-18;1-21(23,24)12-31-17-7-6-15(30-8-3-9-34-20(30)33)11-16(17)28-19(31)29-18(32)13-4-2-5-14(10-13)22(25,26)27/h4,8-11,14-15,17H,1-3,5-7,12-13,16H2,(H,30,31,34);1,5-8,12-13,16H,2-4,9-11,14-15H2,(H,29,30,33);1,3-4,7-8,13-14,18,23,33H,2,5-6,9-12,15H2,(H,28,29,35);2,4-7,10-11H,3,8-9,12H2,1H3,(H,28,29,32)
• InChIKey: FQULDQFOIJTENX-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 329.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1968.94
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158114214) is N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(F)(F)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCCCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1CCCOC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.

What is the InChIKey of N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is FQULDQFOIJTENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3.C25H25F3N4O4.C25H27F2N5O3.C22H19F5N4O3/c27-26(28,29)19-9-4-8-18(14-19)23(34)31-24-30-21-15-20(32-12-5-13-36-25(32)35)10-11-22(21)33(24)16-17-6-2-1-3-7-17;26-25(27,28)18-6-1-5-17(12-18)22(33)30-23-29-20-13-19(31-9-3-11-36-24(31)34)7-8-21(20)32(23)14-16-4-2-10-35-15-16;26-23(27)16-3-1-4-17(13-16)24(35)29-25-28-20-14-19(7-8-21(20)32(25)9-2-12-33)31-11-10-30(15-22(31)34)18-5-6-18;1-21(23,24)12-31-17-7-6-15(30-8-3-9-34-20(30)33)11-16(17)28-19(31)29-18(32)13-4-2-5-14(10-13)22(25,26)27/h4,8-11,14-15,17H,1-3,5-7,12-13,16H2,(H,30,31,34);1,5-8,12-13,16H,2-4,9-11,14-15H2,(H,29,30,33);1,3-4,7-8,13-14,18,23,33H,2,5-6,9-12,15H2,(H,28,29,35);2,4-7,10-11H,3,8-9,12H2,1H3,(H,28,29,32).

What are the key properties of N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1968.94 g/mol, XLogP of 20.04, 23 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(oxan-3-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158114214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).