5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C20H24FN5O2 — CID 56716219

IUPAC5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28)
InChIKeyXEPNVNXCDLZDOY-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.56
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56716219) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56716219
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1
InChIInChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28)
InChIKeyXEPNVNXCDLZDOY-UHFFFAOYSA-N
XLogP1.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
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 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56716219) is 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1NC(Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCn1ccnc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is XEPNVNXCDLZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-3-1-15(2-4-17)13-20(16-5-7-22-8-6-16)18(27)26(19(28)24-20)12-11-25-10-9-23-14-25/h1-4,9-10,14,16,22H,5-8,11-13H2,(H,24,28).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56716219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).