3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one

C30H30FN3O2 — CID 142917424

IUPAC3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C30H30FN3O2/c1-21-32-30(23-8-4-2-5-9-23,24-10-6-3-7-11-24)29(35)34(21)26-14-16-33(17-15-26)20-27-19-22-18-25(31)12-13-28(22)36-27/h2-13,18,26-27H,14-17,19-20H2,1H3
InChIKeyIYCZJJLDWQJIKY-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.80
Rot. Bonds5

About 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one

3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one (PubChem CID 142917424) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
PubChem CID142917424
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C30H30FN3O2/c1-21-32-30(23-8-4-2-5-9-23,24-10-6-3-7-11-24)29(35)34(21)26-14-16-33(17-15-26)20-27-19-22-18-25(31)12-13-28(22)36-27/h2-13,18,26-27H,14-17,19-20H2,1H3
InChIKeyIYCZJJLDWQJIKY-UHFFFAOYSA-N
XLogP4.80
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-Amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 57843720
CID 87789588
CID 87789588
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-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917274
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-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one
CID 142917511
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-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
CID 142917624
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[4-(4-methylphenoxy)piperidin-1-yl]propyl]imidazol-4-one
CID 142917662

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one (CID 142917424) is 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one is CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CC2Cc3cc(F)ccc3O2)CC1.
What is the InChIKey of 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The InChIKey is IYCZJJLDWQJIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O2/c1-21-32-30(23-8-4-2-5-9-23,24-10-6-3-7-11-24)29(35)34(21)26-14-16-33(17-15-26)20-27-19-22-18-25(31)12-13-28(22)36-27/h2-13,18,26-27H,14-17,19-20H2,1H3.
What are the key properties of 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one has a molecular weight of 483.59 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 142917424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).