N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid

C94H88F12N16O14 — CID 158074144

About N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid

N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 158074144) has the molecular formula C94H88F12N16O14 and a molecular weight of 1893.81 g/mol. Its IUPAC name is N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid
• PubChem CID: 158074144
• Molecular Formula: C94H88F12N16O14
• Molecular Weight: 1893.81 g/mol
• Exact Mass: 1892.65
• IUPAC Name: N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid
• SMILES: CC(C)(C)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CCCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(C(=O)O)CC1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H21F3N4O5.C24H23F3N4O3.C24H25F3N4O3.C22H19F3N4O3/c25-24(26,27)15-4-1-3-14(11-15)19(32)29-21-28-17-12-16(30-9-2-10-36-22(30)35)5-6-18(17)31(21)13-23(7-8-23)20(33)34;25-24(26,27)16-6-3-5-15(13-16)21(32)29-22-28-19-14-18(30-11-4-12-34-23(30)33)9-10-20(19)31(22)17-7-1-2-8-17;1-23(2,3)14-31-19-9-8-17(30-10-5-11-34-22(30)33)13-18(19)28-21(31)29-20(32)15-6-4-7-16(12-15)24(25,26)27;23-22(24,25)14-4-1-3-13(11-14)19(30)27-20-26-17-12-16(28-9-2-10-32-21(28)31)7-8-18(17)29(20)15-5-6-15/h1,3-6,11-12H,2,7-10,13H2,(H,33,34)(H,28,29,32);3,5-6,9-10,13-14,17H,1-2,4,7-8,11-12H2,(H,28,29,32);4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,28,29,32);1,3-4,7-8,11-12,15H,2,5-6,9-10H2,(H,26,27,30)
• InChIKey: FMDXWSKIGFDYAL-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 343.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.81
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid?

The IUPAC name of N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 158074144) is N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid is CC(C)(C)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CCCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(C(=O)O)CC1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid?

The InChIKey is FMDXWSKIGFDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O5.C24H23F3N4O3.C24H25F3N4O3.C22H19F3N4O3/c25-24(26,27)15-4-1-3-14(11-15)19(32)29-21-28-17-12-16(30-9-2-10-36-22(30)35)5-6-18(17)31(21)13-23(7-8-23)20(33)34;25-24(26,27)16-6-3-5-15(13-16)21(32)29-22-28-19-14-18(30-11-4-12-34-23(30)33)9-10-20(19)31(22)17-7-1-2-8-17;1-23(2,3)14-31-19-9-8-17(30-10-5-11-34-22(30)33)13-18(19)28-21(31)29-20(32)15-6-4-7-16(12-15)24(25,26)27;23-22(24,25)14-4-1-3-13(11-14)19(30)27-20-26-17-12-16(28-9-2-10-32-21(28)31)7-8-18(17)29(20)15-5-6-15/h1,3-6,11-12H,2,7-10,13H2,(H,33,34)(H,28,29,32);3,5-6,9-10,13-14,17H,1-2,4,7-8,11-12H2,(H,28,29,32);4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,28,29,32);1,3-4,7-8,11-12,15H,2,5-6,9-10H2,(H,26,27,30).

What are the key properties of N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid?

N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 1893.81 g/mol, XLogP of 20.98, 18 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopentyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclopropyl-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158074144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).