5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one

C29H32F2N4O2 — CID 142917714

IUPAC5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C29H32F2N4O2/c1-21-32-29(22-3-7-24(30)8-4-22,23-5-9-25(31)10-6-23)28(37)35(21)16-2-15-33-17-19-34(20-18-33)26-11-13-27(36)14-12-26/h3-14,21,32,36H,2,15-20H2,1H3
InChIKeyIXMJTNWATMXZKU-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.90
Rot. Bonds7

About 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one

5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one (PubChem CID 142917714) has the molecular formula C29H32F2N4O2 and a molecular weight of 506.60 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one
PubChem CID142917714
Molecular FormulaC29H32F2N4O2
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C29H32F2N4O2/c1-21-32-29(22-3-7-24(30)8-4-22,23-5-9-25(31)10-6-23)28(37)35(21)16-2-15-33-17-19-34(20-18-33)26-11-13-27(36)14-12-26/h3-14,21,32,36H,2,15-20H2,1H3
InChIKeyIXMJTNWATMXZKU-UHFFFAOYSA-N
XLogP3.90
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S)-1-oxo-3-phenyl-1-[4-(N-phenylpropanamido)piperidin-1-yl]propan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]propanamide
CID 23635042
(Z,5S)-5-amino-4-fluoro-6-(4-hydroxyphenyl)-N-[2-oxo-2-[[(2S)-1-oxo-3-phenyl-1-[4-(N-propanoylanilino)piperidin-1-yl]propan-2-yl]amino]ethyl]hex-3-enamide
CID 168275838
8-[4,4-Bis(4-fluorophenyl)butyl]-1-(4-hydroxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 44532028
5-(4-Fluorophenyl)-3-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione
CID 127025084
3-[2-(4-Methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 71476453
3-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 76333391
N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
CID 9829682
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(piperazin-1-yl)acetamide
CID 171716393
3-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4881827
(2S,3S)-2-((4-Hydroxyphenyl)amino)-N,3-diphenylbutanamide
CID 172564177
3-({[(3R,5S)-1-benzyl-5-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-3-pyrrolidinyl]amino}methyl)phenol
CID 45239993
3-[2-(4-Hydroxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 76322532

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one (CID 142917714) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one is CC1NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one?
The InChIKey is IXMJTNWATMXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N4O2/c1-21-32-29(22-3-7-24(30)8-4-22,23-5-9-25(31)10-6-23)28(37)35(21)16-2-15-33-17-19-34(20-18-33)26-11-13-27(36)14-12-26/h3-14,21,32,36H,2,15-20H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one?
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one has a molecular weight of 506.60 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-2-methylimidazolidin-4-one is sourced from PubChem (CID 142917714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).