1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one

C16H20N2O2 — CID 149395147

IUPAC1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one
SMILESC#Cc1c(C)cc(C)c(OCCN2CCNC2=O)c1C
InChIInChI=1S/C16H20N2O2/c1-5-14-11(2)10-12(3)15(13(14)4)20-9-8-18-7-6-17-16(18)19/h1,10H,6-9H2,2-4H3,(H,17,19)
InChIKeyYOHMZENOFXCAKW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one

1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one (PubChem CID 149395147) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one
PubChem CID149395147
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one
SMILESC#Cc1c(C)cc(C)c(OCCN2CCNC2=O)c1C
InChIInChI=1S/C16H20N2O2/c1-5-14-11(2)10-12(3)15(13(14)4)20-9-8-18-7-6-17-16(18)19/h1,10H,6-9H2,2-4H3,(H,17,19)
InChIKeyYOHMZENOFXCAKW-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one (CID 149395147) is 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one is C#Cc1c(C)cc(C)c(OCCN2CCNC2=O)c1C.
What is the InChIKey of 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one?
The InChIKey is YOHMZENOFXCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-14-11(2)10-12(3)15(13(14)4)20-9-8-18-7-6-17-16(18)19/h1,10H,6-9H2,2-4H3,(H,17,19).
What are the key properties of 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one?
1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 149395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).