5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C22H25FN4O2 — CID 56714637

IUPAC5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C22H25FN4O2/c23-18-6-4-16(5-7-18)15-22(17-8-12-24-13-9-17)20(28)27(21(29)26-22)14-10-19-3-1-2-11-25-19/h1-7,11,17,24H,8-10,12-15H2,(H,26,29)
InChIKeyQSJCVUJVZDSPOG-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.30
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 56714637) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID56714637
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C22H25FN4O2/c23-18-6-4-16(5-7-18)15-22(17-8-12-24-13-9-17)20(28)27(21(29)26-22)14-10-19-3-1-2-11-25-19/h1-7,11,17,24H,8-10,12-15H2,(H,26,29)
InChIKeyQSJCVUJVZDSPOG-UHFFFAOYSA-N
XLogP2.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 56714637) is 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is QSJCVUJVZDSPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-18-6-4-16(5-7-18)15-22(17-8-12-24-13-9-17)20(28)27(21(29)26-22)14-10-19-3-1-2-11-25-19/h1-7,11,17,24H,8-10,12-15H2,(H,26,29).
What are the key properties of 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 396.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56714637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).