potassium 1,5-dimethyl-4H-imidazol-4-ide

C5H7KN2 — CID 164910364

IUPACpotassium 1,5-dimethyl-4H-imidazol-4-ide
SMILESCc1[c-]ncn1C.[K+]
InChIInChI=1S/C5H7N2.K/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+1
InChIKeyACVRYOYKVHBBEM-UHFFFAOYSA-N
MW134.22 g/mol
LogP-2.47
Rot. Bonds

About potassium 1,5-dimethyl-4H-imidazol-4-ide

potassium 1,5-dimethyl-4H-imidazol-4-ide (PubChem CID 164910364) has the molecular formula C5H7KN2 and a molecular weight of 134.22 g/mol. Its IUPAC name is potassium 1,5-dimethyl-4H-imidazol-4-ide.

Molecular Properties

Compound Namepotassium 1,5-dimethyl-4H-imidazol-4-ide
PubChem CID164910364
Molecular FormulaC5H7KN2
Molecular Weight134.22 g/mol
Exact Mass134.02
IUPAC Namepotassium 1,5-dimethyl-4H-imidazol-4-ide
SMILESCc1[c-]ncn1C.[K+]
InChIInChI=1S/C5H7N2.K/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+1
InChIKeyACVRYOYKVHBBEM-UHFFFAOYSA-N
XLogP-2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1,5-dimethyl-4H-imidazol-4-ide?
The IUPAC name of potassium 1,5-dimethyl-4H-imidazol-4-ide (CID 164910364) is potassium 1,5-dimethyl-4H-imidazol-4-ide.
What is the SMILES notation for potassium 1,5-dimethyl-4H-imidazol-4-ide?
The canonical SMILES for potassium 1,5-dimethyl-4H-imidazol-4-ide is Cc1[c-]ncn1C.[K+].
What is the InChIKey of potassium 1,5-dimethyl-4H-imidazol-4-ide?
The InChIKey is ACVRYOYKVHBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.K/c1-5-3-6-4-7(5)2;/h4H,1-2H3;/q-1;+1.
What are the key properties of potassium 1,5-dimethyl-4H-imidazol-4-ide?
potassium 1,5-dimethyl-4H-imidazol-4-ide has a molecular weight of 134.22 g/mol, XLogP of -2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,5-dimethyl-4H-imidazol-4-ide is sourced from PubChem (CID 164910364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).