5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one

C31H32F3N3O — CID 91109180

IUPAC5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C31H32F3N3O/c1-21(36-18-16-24(17-19-36)23-3-9-27(32)10-4-23)15-20-37-22(2)35-31(30(37)38,25-5-11-28(33)12-6-25)26-7-13-29(34)14-8-26/h3-14,21,24H,15-20H2,1-2H3
InChIKeyUKHQYDITWHPJQM-UHFFFAOYSA-N
MW519.61 g/mol
LogP6.27
Rot. Bonds7

About 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one (PubChem CID 91109180) has the molecular formula C31H32F3N3O and a molecular weight of 519.61 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
PubChem CID91109180
Molecular FormulaC31H32F3N3O
Molecular Weight519.61 g/mol
Exact Mass519.25
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C31H32F3N3O/c1-21(36-18-16-24(17-19-36)23-3-9-27(32)10-4-23)15-20-37-22(2)35-31(30(37)38,25-5-11-28(33)12-6-25)26-7-13-29(34)14-8-26/h3-14,21,24H,15-20H2,1-2H3
InChIKeyUKHQYDITWHPJQM-UHFFFAOYSA-N
XLogP6.27
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-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-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-(3,4-Difluoro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392084
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2,6-diphenyl-
CID 3059513
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
2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387714
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 24720743
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 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one (CID 91109180) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one?
The InChIKey is UKHQYDITWHPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O/c1-21(36-18-16-24(17-19-36)23-3-9-27(32)10-4-23)15-20-37-22(2)35-31(30(37)38,25-5-11-28(33)12-6-25)26-7-13-29(34)14-8-26/h3-14,21,24H,15-20H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one has a molecular weight of 519.61 g/mol, XLogP of 6.27, 7 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]butyl]-2-methylimidazol-4-one is sourced from PubChem (CID 91109180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).