5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione

C14H14N2O3 — CID 143991186

IUPAC5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCC(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9(8-17)11-5-2-10(3-6-11)4-7-12-13(18)16-14(19)15-12/h2-3,5-6,9,12,17H,8H2,1H3,(H2,15,16,18,19)
InChIKeyCGWAZQIVDSJAAA-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.34
Rot. Bonds2

About 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione

5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 143991186) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
PubChem CID143991186
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCC(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9(8-17)11-5-2-10(3-6-11)4-7-12-13(18)16-14(19)15-12/h2-3,5-6,9,12,17H,8H2,1H3,(H2,15,16,18,19)
InChIKeyCGWAZQIVDSJAAA-UHFFFAOYSA-N
XLogP0.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(2,2,2-Trifluoro-1,1-dihydroxyethyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 143991138
5-(4-Hydroxymethylbenzyl)hydantoin
CID 69297973
methyl 2-[4-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]acetate
CID 70889927
Methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 77946749
5-[2-[4-[Hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethynyl]imidazolidine-2,4-dione
CID 143990908
5-[2-(4-Methylphenyl)ethynyl]imidazolidine-2,4-dione
CID 143991072
5-[2-[4-[2-Hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione
CID 143991293

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione (CID 143991186) is 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione is CC(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is CGWAZQIVDSJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(8-17)11-5-2-10(3-6-11)4-7-12-13(18)16-14(19)15-12/h2-3,5-6,9,12,17H,8H2,1H3,(H2,15,16,18,19).
What are the key properties of 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143991186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).