1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole

C50H58F8N6O2 — CID 159061571

IUPAC1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
SMILESCCn1cnc2c([C@@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21.CCn1cnc2c([C@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21
InChIInChI=1S/2C25H29F4N3O/c2*1-4-32-16-30-23-21(13-19(14-22(23)32)25(27,28)29)17(2)33-15-24(9-11-31(3)12-10-24)18-5-7-20(26)8-6-18/h2*5-8,13-14,16-17H,4,9-12,15H2,1-3H3/t2*17-/m10/s1
InChIKeyJYNOEQXJJOZRLD-QAOGLABXSA-N
MW927.04 g/mol
LogP11.91
Rot. Bonds12

About 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole

1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole (PubChem CID 159061571) has the molecular formula C50H58F8N6O2 and a molecular weight of 927.04 g/mol. Its IUPAC name is 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
PubChem CID159061571
Molecular FormulaC50H58F8N6O2
Molecular Weight927.04 g/mol
Exact Mass926.45
IUPAC Name1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
SMILESCCn1cnc2c([C@@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21.CCn1cnc2c([C@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21
InChIInChI=1S/2C25H29F4N3O/c2*1-4-32-16-30-23-21(13-19(14-22(23)32)25(27,28)29)17(2)33-15-24(9-11-31(3)12-10-24)18-5-7-20(26)8-6-18/h2*5-8,13-14,16-17H,4,9-12,15H2,1-3H3/t2*17-/m10/s1
InChIKeyJYNOEQXJJOZRLD-QAOGLABXSA-N
XLogP11.91
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.04
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole (CID 159061571) is 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole is CCn1cnc2c([C@@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21.CCn1cnc2c([C@H](C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole?
The InChIKey is JYNOEQXJJOZRLD-QAOGLABXSA-N. The full InChI is InChI=1S/2C25H29F4N3O/c2*1-4-32-16-30-23-21(13-19(14-22(23)32)25(27,28)29)17(2)33-15-24(9-11-31(3)12-10-24)18-5-7-20(26)8-6-18/h2*5-8,13-14,16-17H,4,9-12,15H2,1-3H3/t2*17-/m10/s1.
What are the key properties of 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole?
1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole has a molecular weight of 927.04 g/mol, XLogP of 11.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 159061571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).