3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

C32H28F3N3O3 — CID 10437773

IUPAC3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C32H28F3N3O3/c1-20-36-32(23-2-6-25(33)7-3-23,24-4-8-26(34)9-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-10-27(35)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3
InChIKeyUNSIETRNYQXZLI-UHFFFAOYSA-N
MW559.59 g/mol
LogP5.63
Rot. Bonds6

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

3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 10437773) has the molecular formula C32H28F3N3O3 and a molecular weight of 559.59 g/mol. Its IUPAC name is 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID10437773
Molecular FormulaC32H28F3N3O3
Molecular Weight559.59 g/mol
Exact Mass559.21
IUPAC Name3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C32H28F3N3O3/c1-20-36-32(23-2-6-25(33)7-3-23,24-4-8-26(34)9-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-10-27(35)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3
InChIKeyUNSIETRNYQXZLI-UHFFFAOYSA-N
XLogP5.63
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.59
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]-2-methoxy-N-methyl-benzamide
CID 135154293
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)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376
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
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)-2-methyl-3-[[1-[(6-nitro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 142917725
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 10437773) is 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCN(Cc2coc3ccc(F)cc3c2=O)CC1.
What is the InChIKey of 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is UNSIETRNYQXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O3/c1-20-36-32(23-2-6-25(33)7-3-23,24-4-8-26(34)9-5-24)31(40)38(20)17-21-12-14-37(15-13-21)18-22-19-41-29-11-10-27(35)16-28(29)30(22)39/h2-11,16,19,21H,12-15,17-18H2,1H3.
What are the key properties of 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 559.59 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(6-fluoro-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 10437773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).