5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one

C32H34F3N3O — CID 142917290

IUPAC5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C32H34F3N3O/c1-22(2)30-36-32(25-6-12-28(34)13-7-25,26-8-14-29(35)15-9-26)31(39)38(30)19-3-18-37-20-16-24(17-21-37)23-4-10-27(33)11-5-23/h4-15,22,24H,3,16-21H2,1-2H3
InChIKeyYFEPBACQYJHARI-UHFFFAOYSA-N
MW533.64 g/mol
LogP6.51
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917290) has the molecular formula C32H34F3N3O and a molecular weight of 533.64 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917290
Molecular FormulaC32H34F3N3O
Molecular Weight533.64 g/mol
Exact Mass533.27
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C32H34F3N3O/c1-22(2)30-36-32(25-6-12-28(34)13-7-25,26-8-14-29(35)15-9-26)31(39)38(30)19-3-18-37-20-16-24(17-21-37)23-4-10-27(33)11-5-23/h4-15,22,24H,3,16-21H2,1-2H3
InChIKeyYFEPBACQYJHARI-UHFFFAOYSA-N
XLogP6.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
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CID 44530662
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-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387713
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

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (CID 142917290) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is YFEPBACQYJHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O/c1-22(2)30-36-32(25-6-12-28(34)13-7-25,26-8-14-29(35)15-9-26)31(39)38(30)19-3-18-37-20-16-24(17-21-37)23-4-10-27(33)11-5-23/h4-15,22,24H,3,16-21H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 533.64 g/mol, XLogP of 6.51, 8 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-(4-fluorophenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).