chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide

C11H21AuClN2- — CID 156907237

IUPACchlorogold;1,3-ditert-butyl-2H-imidazol-2-ide
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[CH-]1.Cl[Au]
InChIInChI=1S/C11H21N2.Au.ClH/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;;/h7-9H,1-6H3;;1H/q-1;+1;/p-1
InChIKeyXVDJEZXWWVBOGH-UHFFFAOYSA-M
MW413.72 g/mol
LogP3.48
Rot. Bonds

About chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide

chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide (PubChem CID 156907237) has the molecular formula C11H21AuClN2- and a molecular weight of 413.72 g/mol. Its IUPAC name is chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide.

Molecular Properties

Compound Namechlorogold;1,3-ditert-butyl-2H-imidazol-2-ide
PubChem CID156907237
Molecular FormulaC11H21AuClN2-
Molecular Weight413.72 g/mol
Exact Mass413.11
IUPAC Namechlorogold;1,3-ditert-butyl-2H-imidazol-2-ide
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[CH-]1.Cl[Au]
InChIInChI=1S/C11H21N2.Au.ClH/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;;/h7-9H,1-6H3;;1H/q-1;+1;/p-1
InChIKeyXVDJEZXWWVBOGH-UHFFFAOYSA-M
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide?
The IUPAC name of chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide (CID 156907237) is chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide.
What is the SMILES notation for chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide?
The canonical SMILES for chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide is CC(C)(C)N1C=CN(C(C)(C)C)[CH-]1.Cl[Au].
What is the InChIKey of chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide?
The InChIKey is XVDJEZXWWVBOGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21N2.Au.ClH/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;;/h7-9H,1-6H3;;1H/q-1;+1;/p-1.
What are the key properties of chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide?
chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide has a molecular weight of 413.72 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;1,3-ditert-butyl-2H-imidazol-2-ide is sourced from PubChem (CID 156907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).