1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride

C59H71ClF12N10 — CID 142793043

About 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride

1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride (PubChem CID 142793043) has the molecular formula C59H71ClF12N10 and a molecular weight of 1183.72 g/mol. Its IUPAC name is 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride.

Molecular Properties

• Compound Name: 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride
• PubChem CID: 142793043
• Molecular Formula: C59H71ClF12N10
• Molecular Weight: 1183.72 g/mol
• Exact Mass: 1182.54
• IUPAC Name: 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride
• SMILES: CNC(C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)(C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1.Cl
• InChI: InChI=1S/C59H70F12N10.ClH/c1-53(2,32-79-29-47(76-50(79)35-14-20-73-21-15-35)38-8-11-44(60)41(26-38)56(63,64)65)59(72-7,54(3,4)33-80-30-48(77-51(80)36-16-22-74-23-17-36)39-9-12-45(61)42(27-39)57(66,67)68)55(5,6)34-81-31-49(78-52(81)37-18-24-75-25-19-37)40-10-13-46(62)43(28-40)58(69,70)71;/h8-13,26-31,35-37,72-75H,14-25,32-34H2,1-7H3;1H
• InChIKey: CQEMCLCYXWRDDM-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 101.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.72
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride?

The IUPAC name of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride (CID 142793043) is 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride.

What is the SMILES notation for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride?

The canonical SMILES for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride is CNC(C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)(C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)C(C)(C)Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1.Cl.

What is the InChIKey of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride?

The InChIKey is CQEMCLCYXWRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70F12N10.ClH/c1-53(2,32-79-29-47(76-50(79)35-14-20-73-21-15-35)38-8-11-44(60)41(26-38)56(63,64)65)59(72-7,54(3,4)33-80-30-48(77-51(80)36-16-22-74-23-17-36)39-9-12-45(61)42(27-39)57(66,67)68)55(5,6)34-81-31-49(78-52(81)37-18-24-75-25-19-37)40-10-13-46(62)43(28-40)58(69,70)71;/h8-13,26-31,35-37,72-75H,14-25,32-34H2,1-7H3;1H.

What are the key properties of 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride?

1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride has a molecular weight of 1183.72 g/mol, XLogP of 14.01, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-3-[1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]-2-methylpropan-2-yl]-N,2,2,4,4-pentamethylpentan-3-amine;hydrochloride is sourced from PubChem (CID 142793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).