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

C31H30F5N3O — CID 142917262

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[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)CC1
InChIInChI=1S/C31H30F5N3O/c1-21-37-30(24-7-11-27(32)12-8-24,25-9-13-28(33)14-10-25)29(40)39(21)18-2-17-38-19-15-23(16-20-38)22-3-5-26(6-4-22)31(34,35)36/h3-14,23H,2,15-20H2,1H3
InChIKeyUHKAQUCXRMJUDF-UHFFFAOYSA-N
MW555.59 g/mol
LogP6.76
Rot. Bonds7

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

5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917262) has the molecular formula C31H30F5N3O and a molecular weight of 555.59 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID142917262
Molecular FormulaC31H30F5N3O
Molecular Weight555.59 g/mol
Exact Mass555.23
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[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)CC1
InChIInChI=1S/C31H30F5N3O/c1-21-37-30(24-7-11-27(32)12-8-24,25-9-13-28(33)14-10-25)29(40)39(21)18-2-17-38-19-15-23(16-20-38)22-3-5-26(6-4-22)31(34,35)36/h3-14,23H,2,15-20H2,1H3
InChIKeyUHKAQUCXRMJUDF-UHFFFAOYSA-N
XLogP6.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.59
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 164675215
7,7-Dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 164675443
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
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
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908
Tert-butyl 4-[[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 10074015

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 142917262) is 5,5-bis(4-fluorophenyl)-2-methyl-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-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[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)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is UHKAQUCXRMJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F5N3O/c1-21-37-30(24-7-11-27(32)12-8-24,25-9-13-28(33)14-10-25)29(40)39(21)18-2-17-38-19-15-23(16-20-38)22-3-5-26(6-4-22)31(34,35)36/h3-14,23H,2,15-20H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 555.59 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).