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

C30H29F4N3O — CID 91036518

IUPAC3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(F)CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C30H29F4N3O/c1-20-35-30(23-4-10-26(32)11-5-23,24-6-12-27(33)13-7-24)29(38)37(20)19-28(34)18-36-16-14-22(15-17-36)21-2-8-25(31)9-3-21/h2-13,22,28H,14-19H2,1H3
InChIKeyJPULWTRFBAPFCG-UHFFFAOYSA-N
MW523.57 g/mol
LogP5.83
Rot. Bonds7

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

3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 91036518) has the molecular formula C30H29F4N3O and a molecular weight of 523.57 g/mol. Its IUPAC name is 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID91036518
Molecular FormulaC30H29F4N3O
Molecular Weight523.57 g/mol
Exact Mass523.22
IUPAC Name3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(F)CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C30H29F4N3O/c1-20-35-30(23-4-10-26(32)11-5-23,24-6-12-27(33)13-7-24)29(38)37(20)19-28(34)18-36-16-14-22(15-17-36)21-2-8-25(31)9-3-21/h2-13,22,28H,14-19H2,1H3
InChIKeyJPULWTRFBAPFCG-UHFFFAOYSA-N
XLogP5.83
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 55.83
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
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 91036518) is 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(F)CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is JPULWTRFBAPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O/c1-20-35-30(23-4-10-26(32)11-5-23,24-6-12-27(33)13-7-24)29(38)37(20)19-28(34)18-36-16-14-22(15-17-36)21-2-8-25(31)9-3-21/h2-13,22,28H,14-19H2,1H3.
What are the key properties of 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 523.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 91036518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).