tetrakis(2-ethynyl-1-methylimidazole);zinc

C24H24N8Zn — CID 162450452

IUPACtetrakis(2-ethynyl-1-methylimidazole);zinc
SMILESC#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.[Zn]
InChIInChI=1S/4C6H6N2.Zn/c4*1-3-6-7-4-5-8(6)2;/h4*1,4-5H,2H3;
InChIKeyOHUNQVIQMYQCNG-UHFFFAOYSA-N
MW489.90 g/mol
LogP1.60
Rot. Bonds

About tetrakis(2-ethynyl-1-methylimidazole);zinc

tetrakis(2-ethynyl-1-methylimidazole);zinc (PubChem CID 162450452) has the molecular formula C24H24N8Zn and a molecular weight of 489.90 g/mol. Its IUPAC name is tetrakis(2-ethynyl-1-methylimidazole);zinc.

Molecular Properties

Compound Nametetrakis(2-ethynyl-1-methylimidazole);zinc
PubChem CID162450452
Molecular FormulaC24H24N8Zn
Molecular Weight489.90 g/mol
Exact Mass488.14
IUPAC Nametetrakis(2-ethynyl-1-methylimidazole);zinc
SMILESC#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.[Zn]
InChIInChI=1S/4C6H6N2.Zn/c4*1-3-6-7-4-5-8(6)2;/h4*1,4-5H,2H3;
InChIKeyOHUNQVIQMYQCNG-UHFFFAOYSA-N
XLogP1.60
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole
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2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
1,2-dimethylimidazole;trifluoroborane
CID 171040969
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-(1-methylimidazol-2-yl)-2-(prop-2-ynylamino)ethanone
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1-methyl-2-(1-methylimidazol-4-yl)imidazole
CID 15897140

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-ethynyl-1-methylimidazole);zinc?
The IUPAC name of tetrakis(2-ethynyl-1-methylimidazole);zinc (CID 162450452) is tetrakis(2-ethynyl-1-methylimidazole);zinc.
What is the SMILES notation for tetrakis(2-ethynyl-1-methylimidazole);zinc?
The canonical SMILES for tetrakis(2-ethynyl-1-methylimidazole);zinc is C#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.C#Cc1nccn1C.[Zn].
What is the InChIKey of tetrakis(2-ethynyl-1-methylimidazole);zinc?
The InChIKey is OHUNQVIQMYQCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6N2.Zn/c4*1-3-6-7-4-5-8(6)2;/h4*1,4-5H,2H3;.
What are the key properties of tetrakis(2-ethynyl-1-methylimidazole);zinc?
tetrakis(2-ethynyl-1-methylimidazole);zinc has a molecular weight of 489.90 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-ethynyl-1-methylimidazole);zinc is sourced from PubChem (CID 162450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).