1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten

C8H13N2W- — CID 170601134

IUPAC1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
SMILESCc1n[c-]c(C(C)C)n1C.[W]
InChIInChI=1S/C8H13N2.W/c1-6(2)8-5-9-7(3)10(8)4;/h6H,1-4H3;/q-1;
InChIKeyBFPRXLWSNWNTTA-UHFFFAOYSA-N
MW321.05 g/mol
LogP1.65
Rot. Bonds1

About 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten

1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten (PubChem CID 170601134) has the molecular formula C8H13N2W- and a molecular weight of 321.05 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
PubChem CID170601134
Molecular FormulaC8H13N2W-
Molecular Weight321.05 g/mol
Exact Mass321.06
IUPAC Name1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
SMILESCc1n[c-]c(C(C)C)n1C.[W]
InChIInChI=1S/C8H13N2.W/c1-6(2)8-5-9-7(3)10(8)4;/h6H,1-4H3;/q-1;
InChIKeyBFPRXLWSNWNTTA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The IUPAC name of 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten (CID 170601134) is 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The canonical SMILES for 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten is Cc1n[c-]c(C(C)C)n1C.[W].
What is the InChIKey of 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
The InChIKey is BFPRXLWSNWNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.W/c1-6(2)8-5-9-7(3)10(8)4;/h6H,1-4H3;/q-1;.
What are the key properties of 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten?
1,2-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 1,2-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten is sourced from PubChem (CID 170601134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).