5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one

C32H31F2N3O3 — CID 10460012

IUPAC5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(CC2=COc3ccc(O)cc3C2)CC1
InChIInChI=1S/C32H31F2N3O3/c1-21-35-32(25-2-6-27(33)7-3-25,26-4-8-28(34)9-5-26)31(39)37(21)19-22-12-14-36(15-13-22)18-23-16-24-17-29(38)10-11-30(24)40-20-23/h2-11,17,20,22,38H,12-16,18-19H2,1H3
InChIKeyLCQBYMCSNGTSNS-UHFFFAOYSA-N
MW543.61 g/mol
LogP5.41
Rot. Bonds6

About 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one (PubChem CID 10460012) has the molecular formula C32H31F2N3O3 and a molecular weight of 543.61 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one
PubChem CID10460012
Molecular FormulaC32H31F2N3O3
Molecular Weight543.61 g/mol
Exact Mass543.23
IUPAC Name5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(CC2=COc3ccc(O)cc3C2)CC1
InChIInChI=1S/C32H31F2N3O3/c1-21-35-32(25-2-6-27(33)7-3-25,26-4-8-28(34)9-5-26)31(39)37(21)19-22-12-14-36(15-13-22)18-23-16-24-17-29(38)10-11-30(24)40-20-23/h2-11,17,20,22,38H,12-16,18-19H2,1H3
InChIKeyLCQBYMCSNGTSNS-UHFFFAOYSA-N
XLogP5.41
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[(5,7-Dimethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053732
3-[[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10459749
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propan-2-ylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 11758004
5,5-bis(4-fluorophenyl)-2-methyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917240
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917412
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 142917467
3-[3-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917495
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
CID 142917514
2-ethyl-5,5-bis(4-fluorophenyl)-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917615
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917758
3-[[1-[(6-Ethoxy-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917803
3-[[1-[(6-Ethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 9985459

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one (CID 10460012) is 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(CC2=COc3ccc(O)cc3C2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one?
The InChIKey is LCQBYMCSNGTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O3/c1-21-35-32(25-2-6-27(33)7-3-25,26-4-8-28(34)9-5-26)31(39)37(21)19-22-12-14-36(15-13-22)18-23-16-24-17-29(38)10-11-30(24)40-20-23/h2-11,17,20,22,38H,12-16,18-19H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one has a molecular weight of 543.61 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[[1-[(6-hydroxy-4H-chromen-3-yl)methyl]piperidin-4-yl]methyl]-2-methylimidazol-4-one is sourced from PubChem (CID 10460012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).