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

C37H34F5N3O2 — CID 142917636

IUPAC5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C37H34F5N3O2/c1-47-33-17-5-27(6-18-33)34-43-36(28-9-13-31(38)14-10-28,29-11-15-32(39)16-12-29)35(46)45(34)22-2-21-44-23-19-26(20-24-44)25-3-7-30(8-4-25)37(40,41)42/h3-18,26H,2,19-24H2,1H3
InChIKeyFFWCYPOZEXVGEV-UHFFFAOYSA-N
MW647.69 g/mol
LogP7.79
Rot. Bonds9

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

5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917636) has the molecular formula C37H34F5N3O2 and a molecular weight of 647.69 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID142917636
Molecular FormulaC37H34F5N3O2
Molecular Weight647.69 g/mol
Exact Mass647.26
IUPAC Name5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C37H34F5N3O2/c1-47-33-17-5-27(6-18-33)34-43-36(28-9-13-31(38)14-10-28,29-11-15-32(39)16-12-29)35(46)45(34)22-2-21-44-23-19-26(20-24-44)25-3-7-30(8-4-25)37(40,41)42/h3-18,26H,2,19-24H2,1H3
InChIKeyFFWCYPOZEXVGEV-UHFFFAOYSA-N
XLogP7.79
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.69
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-Methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 9915781
3-Acetyl4-(4'-trifluoromethoxy-4-biphenylyl)-2-(2,6-difluorophenyl)-4,5-dihydro-3h-imidazole
CID 22612687
1-[2-(2,6-Difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 22612689
N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 58788389
4-[[2-[3,5-Bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide
CID 59293890
1-[4-[[4-(Fluoromethyl)phenyl]-(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 70940743
N-[2-(diethylamino)ethyl]-2-[4-oxo-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 87438717
4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one
CID 91564827
4-[5-(3-Fluorophenyl)-2-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880934
5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917274
2-(3,4-Dihydroxy-5-methoxyphenyl)-5,5-bis(4-fluorophenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917333
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 142917636) is 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is COc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is FFWCYPOZEXVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F5N3O2/c1-47-33-17-5-27(6-18-33)34-43-36(28-9-13-31(38)14-10-28,29-11-15-32(39)16-12-29)35(46)45(34)22-2-21-44-23-19-26(20-24-44)25-3-7-30(8-4-25)37(40,41)42/h3-18,26H,2,19-24H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 647.69 g/mol, XLogP of 7.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).