3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione

C17H14FN3O2 — CID 68826061

IUPAC3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC=Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H14FN3O2/c18-14-6-3-12(4-7-14)13-5-8-15(19-10-13)2-1-9-21-16(22)11-20-17(21)23/h1-8,10H,9,11H2,(H,20,23)
InChIKeyWQAXPEFSXBDLIF-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.45
Rot. Bonds4

About 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione

3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione (PubChem CID 68826061) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione
PubChem CID68826061
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC=Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H14FN3O2/c18-14-6-3-12(4-7-14)13-5-8-15(19-10-13)2-1-9-21-16(22)11-20-17(21)23/h1-8,10H,9,11H2,(H,20,23)
InChIKeyWQAXPEFSXBDLIF-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione (CID 68826061) is 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC=Cc1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione?
The InChIKey is WQAXPEFSXBDLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-6-3-12(4-7-14)13-5-8-15(19-10-13)2-1-9-21-16(22)11-20-17(21)23/h1-8,10H,9,11H2,(H,20,23).
What are the key properties of 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione?
3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione has a molecular weight of 311.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68826061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).