5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one

C32H37F2N3O — CID 142917227

IUPAC5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(C2=CCC(F)C=C2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H37F2N3O/c1-23(2)30-35-32(26-9-13-28(33)14-10-26,27-11-15-29(34)16-12-27)31(38)37(30)20-6-19-36-21-17-25(18-22-36)24-7-4-3-5-8-24/h3-5,7-15,23,25,29H,6,16-22H2,1-2H3
InChIKeyQXRMZMRLYGBJFY-UHFFFAOYSA-N
MW517.66 g/mol
LogP6.41
Rot. Bonds8

About 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one

5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917227) has the molecular formula C32H37F2N3O and a molecular weight of 517.66 g/mol. Its IUPAC name is 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917227
Molecular FormulaC32H37F2N3O
Molecular Weight517.66 g/mol
Exact Mass517.29
IUPAC Name5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(C2=CCC(F)C=C2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H37F2N3O/c1-23(2)30-35-32(26-9-13-28(33)14-10-26,27-11-15-29(34)16-12-27)31(38)37(30)20-6-19-36-21-17-25(18-22-36)24-7-4-3-5-8-24/h3-5,7-15,23,25,29H,6,16-22H2,1-2H3
InChIKeyQXRMZMRLYGBJFY-UHFFFAOYSA-N
XLogP6.41
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.66
LogP ≤ 56.41
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
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2,6-diphenyl-
CID 3059513
(2R)-5-methyl-2,6-diphenyl-5,7-diazaspiro[2.4]hept-6-en-4-one
CID 474692
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
2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387714
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The IUPAC name of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (CID 142917227) is 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one.
What is the SMILES notation for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The canonical SMILES for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(C2=CCC(F)C=C2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is QXRMZMRLYGBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F2N3O/c1-23(2)30-35-32(26-9-13-28(33)14-10-26,27-11-15-29(34)16-12-27)31(38)37(30)20-6-19-36-21-17-25(18-22-36)24-7-4-3-5-8-24/h3-5,7-15,23,25,29H,6,16-22H2,1-2H3.
What are the key properties of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 517.66 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).