2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium

C9H19N2Zr- — CID 161498734

IUPAC2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium
SMILESCN1CCN=C1C(C)(C)C.[CH3-].[Zr]
InChIInChI=1S/C8H16N2.CH3.Zr/c1-8(2,3)7-9-5-6-10(7)4;;/h5-6H2,1-4H3;1H3;/q;-1;
InChIKeyVZFWKSHTRXRYMP-UHFFFAOYSA-N
MW246.49 g/mol
LogP1.82
Rot. Bonds

About 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium

2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium (PubChem CID 161498734) has the molecular formula C9H19N2Zr- and a molecular weight of 246.49 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium
PubChem CID161498734
Molecular FormulaC9H19N2Zr-
Molecular Weight246.49 g/mol
Exact Mass245.06
IUPAC Name2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium
SMILESCN1CCN=C1C(C)(C)C.[CH3-].[Zr]
InChIInChI=1S/C8H16N2.CH3.Zr/c1-8(2,3)7-9-5-6-10(7)4;;/h5-6H2,1-4H3;1H3;/q;-1;
InChIKeyVZFWKSHTRXRYMP-UHFFFAOYSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 51.82
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-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium?
The IUPAC name of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium (CID 161498734) is 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium.
What is the SMILES notation for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium?
The canonical SMILES for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium is CN1CCN=C1C(C)(C)C.[CH3-].[Zr].
What is the InChIKey of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium?
The InChIKey is VZFWKSHTRXRYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.CH3.Zr/c1-8(2,3)7-9-5-6-10(7)4;;/h5-6H2,1-4H3;1H3;/q;-1;.
What are the key properties of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium?
2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium has a molecular weight of 246.49 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;carbanide;zirconium is sourced from PubChem (CID 161498734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).