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

C29H28F3N3O — CID 142917287

IUPAC4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C29H28F3N3O/c30-24-9-3-20(4-10-24)21-15-18-35(19-16-21)17-1-2-27-33-28(36)29(34-27,22-5-11-25(31)12-6-22)23-7-13-26(32)14-8-23/h3-14,21H,1-2,15-19H2,(H,33,34,36)
InChIKeyXETXBZODNCCXDM-UHFFFAOYSA-N
MW491.56 g/mol
LogP5.54
Rot. Bonds7

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

4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one (PubChem CID 142917287) has the molecular formula C29H28F3N3O and a molecular weight of 491.56 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
PubChem CID142917287
Molecular FormulaC29H28F3N3O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C29H28F3N3O/c30-24-9-3-20(4-10-24)21-15-18-35(19-16-21)17-1-2-27-33-28(36)29(34-27,22-5-11-25(31)12-6-22)23-7-13-26(32)14-8-23/h3-14,21H,1-2,15-19H2,(H,33,34,36)
InChIKeyXETXBZODNCCXDM-UHFFFAOYSA-N
XLogP5.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 55.54
H-Bond Donors ≤ 51
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
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-3-benzyl-5,5-diphenylimidazol-4-one
CID 59387062
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
8-(2,6-Difluorobenzyl)-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991230
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 164675215
(4R)-2,4-diphenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 168304631
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

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one (CID 142917287) is 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one is O=C1NC(CCCN2CCC(c3ccc(F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
The InChIKey is XETXBZODNCCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O/c30-24-9-3-20(4-10-24)21-15-18-35(19-16-21)17-1-2-27-33-28(36)29(34-27,22-5-11-25(31)12-6-22)23-7-13-26(32)14-8-23/h3-14,21H,1-2,15-19H2,(H,33,34,36).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one has a molecular weight of 491.56 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1H-imidazol-5-one is sourced from PubChem (CID 142917287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).