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

C8H13N2Y- — CID 58719482

IUPAC2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
SMILESCc1[c-]nc(C)n1C(C)C.[Y]
InChIInChI=1S/C8H13N2.Y/c1-6(2)10-7(3)5-9-8(10)4;/h6H,1-4H3;/q-1;
InChIKeyNGMUNYNNTDVFCO-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.88
Rot. Bonds1

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

2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium (PubChem CID 58719482) has the molecular formula C8H13N2Y- and a molecular weight of 226.11 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
PubChem CID58719482
Molecular FormulaC8H13N2Y-
Molecular Weight226.11 g/mol
Exact Mass226.01
IUPAC Name2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
SMILESCc1[c-]nc(C)n1C(C)C.[Y]
InChIInChI=1S/C8H13N2.Y/c1-6(2)10-7(3)5-9-8(10)4;/h6H,1-4H3;/q-1;
InChIKeyNGMUNYNNTDVFCO-UHFFFAOYSA-N
XLogP1.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.88
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 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium?
The IUPAC name of 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium (CID 58719482) is 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium?
The canonical SMILES for 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium is Cc1[c-]nc(C)n1C(C)C.[Y].
What is the InChIKey of 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium?
The InChIKey is NGMUNYNNTDVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.Y/c1-6(2)10-7(3)5-9-8(10)4;/h6H,1-4H3;/q-1;.
What are the key properties of 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium?
2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium has a molecular weight of 226.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium is sourced from PubChem (CID 58719482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).