1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one

C26H32FN3O2 — CID 91332876

IUPAC1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)c3)cc2)c1=O
InChIInChI=1S/C26H32FN3O2/c1-19(2)15-30-25(31)18-29(26(30)32)16-20-6-8-21(9-7-20)22-10-11-24(27)23(14-22)17-28-12-4-3-5-13-28/h6-11,14,18-19,31H,3-5,12-13,15-17H2,1-2H3
InChIKeyWTQMCOXDJOYVDD-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.85
Rot. Bonds7

About 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one

1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one (PubChem CID 91332876) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
PubChem CID91332876
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)c3)cc2)c1=O
InChIInChI=1S/C26H32FN3O2/c1-19(2)15-30-25(31)18-29(26(30)32)16-20-6-8-21(9-7-20)22-10-11-24(27)23(14-22)17-28-12-4-3-5-13-28/h6-11,14,18-19,31H,3-5,12-13,15-17H2,1-2H3
InChIKeyWTQMCOXDJOYVDD-UHFFFAOYSA-N
XLogP4.85
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one with MolForge

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Related Compounds

3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one
CID 91415139
4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one
CID 91900329
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 91900328
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 56595578
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
CID 75485818
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
CID 142249785

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one (CID 91332876) is 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one is CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)c3)cc2)c1=O.
What is the InChIKey of 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one?
The InChIKey is WTQMCOXDJOYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-19(2)15-30-25(31)18-29(26(30)32)16-20-6-8-21(9-7-20)22-10-11-24(27)23(14-22)17-28-12-4-3-5-13-28/h6-11,14,18-19,31H,3-5,12-13,15-17H2,1-2H3.
What are the key properties of 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one?
1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one has a molecular weight of 437.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 91332876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).