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

C19H19N3O — CID 53493900

IUPAC3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C
InChIInChI=1S/C19H19N3O/c1-19(2)14-22(18(23)21(19)3)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-13H,14H2,1-3H3
InChIKeyZWQRBPIGEGXFCU-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.13
Rot. Bonds1

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

3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 53493900) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID53493900
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C
InChIInChI=1S/C19H19N3O/c1-19(2)14-22(18(23)21(19)3)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-13H,14H2,1-3H3
InChIKeyZWQRBPIGEGXFCU-UHFFFAOYSA-N
XLogP3.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.13
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 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one (CID 53493900) is 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is ZWQRBPIGEGXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(2)14-22(18(23)21(19)3)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-13H,14H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one?
3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 53493900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).