imidazol-3-ide;iodogold;phenylmethanone

C10H8AuIN2O-2 — CID 162771599

IUPACimidazol-3-ide;iodogold;phenylmethanone
SMILESI[Au].O=[C-]c1ccccc1.c1c[n-]cn1
InChIInChI=1S/C7H5O.C3H3N2.Au.HI/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;/h1-5H;1-3H;;1H/q2*-1;+1;/p-1
InChIKeyAMEFMGGLELIMFZ-UHFFFAOYSA-M
MW496.06 g/mol
LogP2.07
Rot. Bonds1

About imidazol-3-ide;iodogold;phenylmethanone

imidazol-3-ide;iodogold;phenylmethanone (PubChem CID 162771599) has the molecular formula C10H8AuIN2O-2 and a molecular weight of 496.06 g/mol. Its IUPAC name is imidazol-3-ide;iodogold;phenylmethanone.

Molecular Properties

Compound Nameimidazol-3-ide;iodogold;phenylmethanone
PubChem CID162771599
Molecular FormulaC10H8AuIN2O-2
Molecular Weight496.06 g/mol
Exact Mass495.94
IUPAC Nameimidazol-3-ide;iodogold;phenylmethanone
SMILESI[Au].O=[C-]c1ccccc1.c1c[n-]cn1
InChIInChI=1S/C7H5O.C3H3N2.Au.HI/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;/h1-5H;1-3H;;1H/q2*-1;+1;/p-1
InChIKeyAMEFMGGLELIMFZ-UHFFFAOYSA-M
XLogP2.07
TPSA44.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazol-3-ide;iodogold;phenylmethanone?
The IUPAC name of imidazol-3-ide;iodogold;phenylmethanone (CID 162771599) is imidazol-3-ide;iodogold;phenylmethanone.
What is the SMILES notation for imidazol-3-ide;iodogold;phenylmethanone?
The canonical SMILES for imidazol-3-ide;iodogold;phenylmethanone is I[Au].O=[C-]c1ccccc1.c1c[n-]cn1.
What is the InChIKey of imidazol-3-ide;iodogold;phenylmethanone?
The InChIKey is AMEFMGGLELIMFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O.C3H3N2.Au.HI/c8-6-7-4-2-1-3-5-7;1-2-5-3-4-1;;/h1-5H;1-3H;;1H/q2*-1;+1;/p-1.
What are the key properties of imidazol-3-ide;iodogold;phenylmethanone?
imidazol-3-ide;iodogold;phenylmethanone has a molecular weight of 496.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-3-ide;iodogold;phenylmethanone is sourced from PubChem (CID 162771599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).