1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one

C19H18FN3O — CID 53494156

IUPAC1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C
InChIInChI=1S/C19H18FN3O/c1-19(2)13-23(18(24)22(19)3)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-12H,13H2,1-3H3
InChIKeyXLRLCMRGUXGEKH-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.27
Rot. Bonds1

About 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one

1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (PubChem CID 53494156) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
PubChem CID53494156
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C
InChIInChI=1S/C19H18FN3O/c1-19(2)13-23(18(24)22(19)3)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-12H,13H2,1-3H3
InChIKeyXLRLCMRGUXGEKH-UHFFFAOYSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The IUPAC name of 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (CID 53494156) is 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C.
What is the InChIKey of 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The InChIKey is XLRLCMRGUXGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-19(2)13-23(18(24)22(19)3)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-12H,13H2,1-3H3.
What are the key properties of 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one has a molecular weight of 323.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 53494156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).