5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one

C36H37F2N3O — CID 142917353

IUPAC5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one
SMILESCCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C36H37F2N3O/c1-2-7-34-39-36(28-12-16-30(37)17-13-28,29-14-18-31(38)19-15-29)35(42)41(34)23-6-22-40-24-20-27(21-25-40)33-11-5-9-26-8-3-4-10-32(26)33/h3-5,8-19,27H,2,6-7,20-25H2,1H3
InChIKeyVXXVCQSNVQGANL-UHFFFAOYSA-N
MW565.71 g/mol
LogP7.67
Rot. Bonds9

About 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one (PubChem CID 142917353) has the molecular formula C36H37F2N3O and a molecular weight of 565.71 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one
PubChem CID142917353
Molecular FormulaC36H37F2N3O
Molecular Weight565.71 g/mol
Exact Mass565.29
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one
SMILESCCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C36H37F2N3O/c1-2-7-34-39-36(28-12-16-30(37)17-13-28,29-14-18-31(38)19-15-29)35(42)41(34)23-6-22-40-24-20-27(21-25-40)33-11-5-9-26-8-3-4-10-32(26)33/h3-5,8-19,27H,2,6-7,20-25H2,1H3
InChIKeyVXXVCQSNVQGANL-UHFFFAOYSA-N
XLogP7.67
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[(4S,5S)-4,5-dicyclohexyl-2-(1-dicyclohexylphosphanyl-8-fluoronaphthalen-2-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 102440374
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
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
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908
3-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 10257420
1-Benzyl-4-[[3-[(8-fluoronaphthalen-2-yl)methyl]-4,5-dihydroimidazol-4-yl]methyl]-6-methyl-3-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 20711892
3-[2-Fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 91036518
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
CID 91109180
3-[3-[4-(2,4-Difluorophenyl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917223

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one (CID 142917353) is 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one is CCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one?
The InChIKey is VXXVCQSNVQGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N3O/c1-2-7-34-39-36(28-12-16-30(37)17-13-28,29-14-18-31(38)19-15-29)35(42)41(34)23-6-22-40-24-20-27(21-25-40)33-11-5-9-26-8-3-4-10-32(26)33/h3-5,8-19,27H,2,6-7,20-25H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one has a molecular weight of 565.71 g/mol, XLogP of 7.67, 9 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)-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-2-propylimidazol-4-one is sourced from PubChem (CID 142917353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).