N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride

C92H96ClF12N17O15S — CID 160785705

About N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride

N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 160785705) has the molecular formula C92H96ClF12N17O15S and a molecular weight of 1975.38 g/mol. Its IUPAC name is N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
• PubChem CID: 160785705
• Molecular Formula: C92H96ClF12N17O15S
• Molecular Weight: 1975.38 g/mol
• Exact Mass: 1973.65
• IUPAC Name: N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
• SMILES: CC1(C)NCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.Cl.O=C(Nc1nc2cc(N3CCCCS3(=O)=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H26F3N5O3.2C23H23F3N4O4.C22H23F3N4O4S.ClH/c1-23(2)21(35)31(11-9-28-23)17-7-8-19-18(14-17)29-22(32(19)10-4-12-33)30-20(34)15-5-3-6-16(13-15)24(25,26)27;24-23(25,26)16-5-1-4-15(12-16)21(33)28-22-27-18-13-17(29-9-3-11-34-14-20(29)32)6-7-19(18)30(22)8-2-10-31;24-23(25,26)16-4-1-3-15(13-16)21(33)28-22-27-18-14-17(29-9-12-34-11-7-20(29)32)5-6-19(18)30(22)8-2-10-31;23-22(24,25)16-6-3-5-15(13-16)20(31)27-21-26-18-14-17(29-10-1-2-12-34(29,32)33)7-8-19(18)28(21)9-4-11-30;/h3,5-8,13-14,28,33H,4,9-12H2,1-2H3,(H,29,30,34);1,4-7,12-13,31H,2-3,8-11,14H2,(H,27,28,33);1,3-6,13-14,31H,2,7-12H2,(H,27,28,33);3,5-8,13-14,30H,1-2,4,9-12H2,(H,26,27,31);1H
• InChIKey: BIMNZQGBJSOWQC-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 397.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.38
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride?

The IUPAC name of N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride (CID 160785705) is N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride.

What is the SMILES notation for N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride?

The canonical SMILES for N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride is CC1(C)NCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.Cl.O=C(Nc1nc2cc(N3CCCCS3(=O)=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride?

The InChIKey is BIMNZQGBJSOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3.2C23H23F3N4O4.C22H23F3N4O4S.ClH/c1-23(2)21(35)31(11-9-28-23)17-7-8-19-18(14-17)29-22(32(19)10-4-12-33)30-20(34)15-5-3-6-16(13-15)24(25,26)27;24-23(25,26)16-5-1-4-15(12-16)21(33)28-22-27-18-13-17(29-9-3-11-34-14-20(29)32)6-7-19(18)30(22)8-2-10-31;24-23(25,26)16-4-1-3-15(13-16)21(33)28-22-27-18-14-17(29-9-12-34-11-7-20(29)32)5-6-19(18)30(22)8-2-10-31;23-22(24,25)16-6-3-5-15(13-16)20(31)27-21-26-18-14-17(29-10-1-2-12-34(29,32)33)7-8-19(18)28(21)9-4-11-30;/h3,5-8,13-14,28,33H,4,9-12H2,1-2H3,(H,29,30,34);1,4-7,12-13,31H,2-3,8-11,14H2,(H,27,28,33);1,3-6,13-14,31H,2,7-12H2,(H,27,28,33);3,5-8,13-14,30H,1-2,4,9-12H2,(H,26,27,31);1H.

What are the key properties of N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride?

N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 1975.38 g/mol, XLogP of 14.33, 24 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1,1-dioxothiazinan-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 160785705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).