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

C19H17F2N3O — CID 53494162

IUPAC1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cc2F)CC1(C)C
InChIInChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)5-4-13-6-8-15(20)9-7-13/h6-11H,12H2,1-3H3
InChIKeyIFTCZJNZSZKTFE-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.41
Rot. Bonds1

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

1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (PubChem CID 53494162) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
PubChem CID53494162
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
SMILESCN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cc2F)CC1(C)C
InChIInChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)5-4-13-6-8-15(20)9-7-13/h6-11H,12H2,1-3H3
InChIKeyIFTCZJNZSZKTFE-UHFFFAOYSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.41
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-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The IUPAC name of 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one (CID 53494162) is 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is CN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cc2F)CC1(C)C.
What is the InChIKey of 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
The InChIKey is IFTCZJNZSZKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)5-4-13-6-8-15(20)9-7-13/h6-11H,12H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one?
1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 53494162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).