3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one

C20H21N3O — CID 53493901

IUPAC3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C
InChIInChI=1S/C20H21N3O/c1-4-23-19(24)22(15-20(23,2)3)18-13-12-17(14-21-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,4,15H2,1-3H3
InChIKeyVEMQMLIJJSSQEM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.52
Rot. Bonds2

About 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one

3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 53493901) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID53493901
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C
InChIInChI=1S/C20H21N3O/c1-4-23-19(24)22(15-20(23,2)3)18-13-12-17(14-21-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,4,15H2,1-3H3
InChIKeyVEMQMLIJJSSQEM-UHFFFAOYSA-N
XLogP3.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.52
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 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (CID 53493901) is 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is VEMQMLIJJSSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-23-19(24)22(15-20(23,2)3)18-13-12-17(14-21-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,4,15H2,1-3H3.
What are the key properties of 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 53493901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).