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

C30H28F5N3O — CID 142917352

IUPAC4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H28F5N3O/c31-25-11-7-22(8-12-25)29(23-9-13-26(32)14-10-23)28(39)36-27(37-29)2-1-17-38-18-15-21(16-19-38)20-3-5-24(6-4-20)30(33,34)35/h3-14,21H,1-2,15-19H2,(H,36,37,39)
InChIKeyBNUHQOIWZXEWNB-UHFFFAOYSA-N
MW541.56 g/mol
LogP6.42
Rot. Bonds7

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

4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one (PubChem CID 142917352) has the molecular formula C30H28F5N3O and a molecular weight of 541.56 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one
PubChem CID142917352
Molecular FormulaC30H28F5N3O
Molecular Weight541.56 g/mol
Exact Mass541.22
IUPAC Name4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H28F5N3O/c31-25-11-7-22(8-12-25)29(23-9-13-26(32)14-10-23)28(39)36-27(37-29)2-1-17-38-18-15-21(16-19-38)20-3-5-24(6-4-20)30(33,34)35/h3-14,21H,1-2,15-19H2,(H,36,37,39)
InChIKeyBNUHQOIWZXEWNB-UHFFFAOYSA-N
XLogP6.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.56
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one with MolForge

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Related Compounds

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 164675215
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
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908
1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 10077496
3-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 10257420
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one (CID 142917352) is 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one is O=C1NC(CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one?
The InChIKey is BNUHQOIWZXEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F5N3O/c31-25-11-7-22(8-12-25)29(23-9-13-26(32)14-10-23)28(39)36-27(37-29)2-1-17-38-18-15-21(16-19-38)20-3-5-24(6-4-20)30(33,34)35/h3-14,21H,1-2,15-19H2,(H,36,37,39).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one has a molecular weight of 541.56 g/mol, XLogP of 6.42, 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-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1H-imidazol-5-one is sourced from PubChem (CID 142917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).