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

C20H20FN3O — CID 53494160

IUPAC1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O
InChIInChI=1S/C20H20FN3O/c1-14-10-16(9-8-15-6-5-7-17(21)11-15)12-22-18(14)24-13-20(2,3)23(4)19(24)25/h5-7,10-12H,13H2,1-4H3
InChIKeyYJGLEGKIKAJLCG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.58
Rot. Bonds1

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

1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (PubChem CID 53494160) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
PubChem CID53494160
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O
InChIInChI=1S/C20H20FN3O/c1-14-10-16(9-8-15-6-5-7-17(21)11-15)12-22-18(14)24-13-20(2,3)23(4)19(24)25/h5-7,10-12H,13H2,1-4H3
InChIKeyYJGLEGKIKAJLCG-UHFFFAOYSA-N
XLogP3.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The IUPAC name of 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (CID 53494160) is 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is Cc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O.
What is the InChIKey of 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The InChIKey is YJGLEGKIKAJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-10-16(9-8-15-6-5-7-17(21)11-15)12-22-18(14)24-13-20(2,3)23(4)19(24)25/h5-7,10-12H,13H2,1-4H3.
What are the key properties of 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one has a molecular weight of 337.40 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-fluorophenyl)ethynyl]-3-methyl-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 53494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).