5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

C36H37F5N4O3 — CID 10055217

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C36H37F5N4O3/c1-24-42-35(26-7-11-29(37)12-8-26,27-9-13-30(38)14-10-27)34(47)45(24)17-2-16-43-18-15-31(25-3-5-28(6-4-25)36(39,40)41)32(23-43)33(46)44-19-21-48-22-20-44/h3-14,31-32H,2,15-23H2,1H3
InChIKeyWUSMALNFYYNSIR-UHFFFAOYSA-N
MW668.71 g/mol
LogP5.84
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 10055217) has the molecular formula C36H37F5N4O3 and a molecular weight of 668.71 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID10055217
Molecular FormulaC36H37F5N4O3
Molecular Weight668.71 g/mol
Exact Mass668.28
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C36H37F5N4O3/c1-24-42-35(26-7-11-29(37)12-8-26,27-9-13-30(38)14-10-27)34(47)45(24)17-2-16-43-18-15-31(25-3-5-28(6-4-25)36(39,40)41)32(23-43)33(46)44-19-21-48-22-20-44/h3-14,31-32H,2,15-23H2,1H3
InChIKeyWUSMALNFYYNSIR-UHFFFAOYSA-N
XLogP5.84
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.71
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 10055217) is 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)C(C(=O)N2CCOCC2)C1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is WUSMALNFYYNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F5N4O3/c1-24-42-35(26-7-11-29(37)12-8-26,27-9-13-30(38)14-10-27)34(47)45(24)17-2-16-43-18-15-31(25-3-5-28(6-4-25)36(39,40)41)32(23-43)33(46)44-19-21-48-22-20-44/h3-14,31-32H,2,15-23H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 668.71 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 10055217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).