5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione

C17H21N3O3 — CID 143991293

IUPAC5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCCCN(C)C(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-10-20(2)15(11-21)13-7-4-12(5-8-13)6-9-14-16(22)19-17(23)18-14/h4-5,7-8,14-15,21H,3,10-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyBUWIUAQHRDIIRI-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.62
Rot. Bonds5

About 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione

5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 143991293) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione
PubChem CID143991293
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCCCN(C)C(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-10-20(2)15(11-21)13-7-4-12(5-8-13)6-9-14-16(22)19-17(23)18-14/h4-5,7-8,14-15,21H,3,10-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyBUWIUAQHRDIIRI-UHFFFAOYSA-N
XLogP0.62
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione (CID 143991293) is 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione is CCCN(C)C(CO)c1ccc(C#CC2NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is BUWIUAQHRDIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-10-20(2)15(11-21)13-7-4-12(5-8-13)6-9-14-16(22)19-17(23)18-14/h4-5,7-8,14-15,21H,3,10-11H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione?
5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-hydroxy-1-[methyl(propyl)amino]ethyl]phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143991293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).