2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten

C8H13N2W- — CID 170601195

IUPAC2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
SMILESCc1nc(C(C)C)[c-]n1C.[W]
InChIInChI=1S/C8H13N2.W/c1-6(2)8-5-10(4)7(3)9-8;/h6H,1-4H3;/q-1;
InChIKeyGWQFEGUGCADKSJ-UHFFFAOYSA-N
MW321.05 g/mol
LogP1.65
Rot. Bonds1

About 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten

2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten (PubChem CID 170601195) has the molecular formula C8H13N2W- and a molecular weight of 321.05 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
PubChem CID170601195
Molecular FormulaC8H13N2W-
Molecular Weight321.05 g/mol
Exact Mass321.06
IUPAC Name2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
SMILESCc1nc(C(C)C)[c-]n1C.[W]
InChIInChI=1S/C8H13N2.W/c1-6(2)8-5-10(4)7(3)9-8;/h6H,1-4H3;/q-1;
InChIKeyGWQFEGUGCADKSJ-UHFFFAOYSA-N
XLogP1.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 51.65
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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Related Compounds

2,3,5-trimethyl-4H-imidazol-4-ide;tungsten
CID 153560636
3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)
CID 167451996
1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
CID 170601134

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The IUPAC name of 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten (CID 170601195) is 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The canonical SMILES for 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten is Cc1nc(C(C)C)[c-]n1C.[W].
What is the InChIKey of 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The InChIKey is GWQFEGUGCADKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.W/c1-6(2)8-5-10(4)7(3)9-8;/h6H,1-4H3;/q-1;.
What are the key properties of 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten has a molecular weight of 321.05 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten is sourced from PubChem (CID 170601195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).