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

C30H30F3N3O — CID 142917397

IUPAC5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C30H30F3N3O/c1-21-34-30(24-5-11-27(32)12-6-24,25-7-13-28(33)14-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-9-26(31)10-4-22/h3-14,23H,2,15-20H2,1H3
InChIKeyKMRCDAWJAZWVIN-UHFFFAOYSA-N
MW505.58 g/mol
LogP5.88
Rot. Bonds7

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

5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one (PubChem CID 142917397) has the molecular formula C30H30F3N3O and a molecular weight of 505.58 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
PubChem CID142917397
Molecular FormulaC30H30F3N3O
Molecular Weight505.58 g/mol
Exact Mass505.23
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C30H30F3N3O/c1-21-34-30(24-5-11-27(32)12-6-24,25-7-13-28(33)14-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-9-26(31)10-4-22/h3-14,23H,2,15-20H2,1H3
InChIKeyKMRCDAWJAZWVIN-UHFFFAOYSA-N
XLogP5.88
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917746
3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917255
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 10256086
methyl 3-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]benzoate
CID 142917626
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
N-[5-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorocyclohexa-2,4-dien-1-yl]propanamide
CID 142917632
3-[3-[4-[3-[(3-ethyl-2-pyridinyl)amino]phenyl]piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917451
5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one
CID 142917213
5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 142917575
5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917400
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
CID 142917696

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one (CID 142917397) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The InChIKey is KMRCDAWJAZWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O/c1-21-34-30(24-5-11-27(32)12-6-24,25-7-13-28(33)14-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-9-26(31)10-4-22/h3-14,23H,2,15-20H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one has a molecular weight of 505.58 g/mol, XLogP of 5.88, 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]propyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).