bromogold;imidazol-3-ide;methoxybenzene

C10H10AuBrN2O-2 — CID 175524899

IUPACbromogold;imidazol-3-ide;methoxybenzene
SMILESBr[Au].COc1cc[c-]cc1.c1c[n-]cn1
InChIInChI=1S/C7H7O.C3H3N2.Au.BrH/c1-8-7-5-3-2-4-6-7;1-2-5-3-4-1;;/h3-6H,1H3;1-3H;;1H/q2*-1;+1;/p-1
InChIKeySOSBEHJUNOMNGE-UHFFFAOYSA-M
MW451.07 g/mol
LogP2.38
Rot. Bonds1

About bromogold;imidazol-3-ide;methoxybenzene

bromogold;imidazol-3-ide;methoxybenzene (PubChem CID 175524899) has the molecular formula C10H10AuBrN2O-2 and a molecular weight of 451.07 g/mol. Its IUPAC name is bromogold;imidazol-3-ide;methoxybenzene.

Molecular Properties

Compound Namebromogold;imidazol-3-ide;methoxybenzene
PubChem CID175524899
Molecular FormulaC10H10AuBrN2O-2
Molecular Weight451.07 g/mol
Exact Mass449.97
IUPAC Namebromogold;imidazol-3-ide;methoxybenzene
SMILESBr[Au].COc1cc[c-]cc1.c1c[n-]cn1
InChIInChI=1S/C7H7O.C3H3N2.Au.BrH/c1-8-7-5-3-2-4-6-7;1-2-5-3-4-1;;/h3-6H,1H3;1-3H;;1H/q2*-1;+1;/p-1
InChIKeySOSBEHJUNOMNGE-UHFFFAOYSA-M
XLogP2.38
TPSA36.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.07
LogP ≤ 52.38
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 bromogold;imidazol-3-ide;methoxybenzene?
The IUPAC name of bromogold;imidazol-3-ide;methoxybenzene (CID 175524899) is bromogold;imidazol-3-ide;methoxybenzene.
What is the SMILES notation for bromogold;imidazol-3-ide;methoxybenzene?
The canonical SMILES for bromogold;imidazol-3-ide;methoxybenzene is Br[Au].COc1cc[c-]cc1.c1c[n-]cn1.
What is the InChIKey of bromogold;imidazol-3-ide;methoxybenzene?
The InChIKey is SOSBEHJUNOMNGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7O.C3H3N2.Au.BrH/c1-8-7-5-3-2-4-6-7;1-2-5-3-4-1;;/h3-6H,1H3;1-3H;;1H/q2*-1;+1;/p-1.
What are the key properties of bromogold;imidazol-3-ide;methoxybenzene?
bromogold;imidazol-3-ide;methoxybenzene has a molecular weight of 451.07 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromogold;imidazol-3-ide;methoxybenzene is sourced from PubChem (CID 175524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).