3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C22H26FN5O3 — CID 118753992

IUPAC3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CC(=O)N2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C22H26FN5O3/c1-15-7-12-27(25-15)14-19(29)26-10-8-17(9-11-26)22(2)20(30)28(21(31)24-22)13-16-3-5-18(23)6-4-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,24,31)
InChIKeyXDQDSKJZEPJHNG-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.08
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 118753992) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID118753992
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CC(=O)N2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C22H26FN5O3/c1-15-7-12-27(25-15)14-19(29)26-10-8-17(9-11-26)22(2)20(30)28(21(31)24-22)13-16-3-5-18(23)6-4-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,24,31)
InChIKeyXDQDSKJZEPJHNG-UHFFFAOYSA-N
XLogP2.08
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 118753992) is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccn(CC(=O)N2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XDQDSKJZEPJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-15-7-12-27(25-15)14-19(29)26-10-8-17(9-11-26)22(2)20(30)28(21(31)24-22)13-16-3-5-18(23)6-4-16/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,24,31).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 427.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 118753992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).