1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

C25H31FN4O2 — CID 56595578

IUPAC1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C25H31FN4O2/c1-18(2)14-30-24(31)17-29(25(30)32)15-19-6-8-20(9-7-19)22-11-10-21(26)23(27-22)16-28-12-4-3-5-13-28/h6-11,18H,3-5,12-17H2,1-2H3
InChIKeyWCMVJSIVDUZGFJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.29
Rot. Bonds7

About 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 56595578) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID56595578
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C25H31FN4O2/c1-18(2)14-30-24(31)17-29(25(30)32)15-19-6-8-20(9-7-19)22-11-10-21(26)23(27-22)16-28-12-4-3-5-13-28/h6-11,18H,3-5,12-17H2,1-2H3
InChIKeyWCMVJSIVDUZGFJ-UHFFFAOYSA-N
XLogP4.29
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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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
1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 59362311
1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
CID 59362307
3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 143398720
1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
CID 91332876
1-[2-[3,6-bis(4-chlorophenyl)-2-pyridinyl]ethyl]azepan-2-one
CID 159130997
3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one
CID 173069777
1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 99797405
1-[[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione
CID 46234990
6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 155875507
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
CID 138045615
1-[(4-methylphenyl)methyl]azepane
CID 3951815

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 56595578) is 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is WCMVJSIVDUZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-18(2)14-30-24(31)17-29(25(30)32)15-19-6-8-20(9-7-19)22-11-10-21(26)23(27-22)16-28-12-4-3-5-13-28/h6-11,18H,3-5,12-17H2,1-2H3.
What are the key properties of 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 438.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56595578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).