5-methoxy-1H-imidazole;tribromogold

C4H6AuBr3N2O — CID 175474881

IUPAC5-methoxy-1H-imidazole;tribromogold
SMILESBr[Au](Br)Br.COc1cnc[nH]1
InChIInChI=1S/C4H6N2O.Au.3BrH/c1-7-4-2-5-3-6-4;;;;/h2-3H,1H3,(H,5,6);;3*1H/q;+3;;;/p-3
InChIKeyICMIRQRMJOPIHY-UHFFFAOYSA-K
MW534.78 g/mol
LogP2.95
Rot. Bonds1

About 5-methoxy-1H-imidazole;tribromogold

5-methoxy-1H-imidazole;tribromogold (PubChem CID 175474881) has the molecular formula C4H6AuBr3N2O and a molecular weight of 534.78 g/mol. Its IUPAC name is 5-methoxy-1H-imidazole;tribromogold.

Molecular Properties

Compound Name5-methoxy-1H-imidazole;tribromogold
PubChem CID175474881
Molecular FormulaC4H6AuBr3N2O
Molecular Weight534.78 g/mol
Exact Mass531.77
IUPAC Name5-methoxy-1H-imidazole;tribromogold
SMILESBr[Au](Br)Br.COc1cnc[nH]1
InChIInChI=1S/C4H6N2O.Au.3BrH/c1-7-4-2-5-3-6-4;;;;/h2-3H,1H3,(H,5,6);;3*1H/q;+3;;;/p-3
InChIKeyICMIRQRMJOPIHY-UHFFFAOYSA-K
XLogP2.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-imidazole;tribromogold?
The IUPAC name of 5-methoxy-1H-imidazole;tribromogold (CID 175474881) is 5-methoxy-1H-imidazole;tribromogold.
What is the SMILES notation for 5-methoxy-1H-imidazole;tribromogold?
The canonical SMILES for 5-methoxy-1H-imidazole;tribromogold is Br[Au](Br)Br.COc1cnc[nH]1.
What is the InChIKey of 5-methoxy-1H-imidazole;tribromogold?
The InChIKey is ICMIRQRMJOPIHY-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H6N2O.Au.3BrH/c1-7-4-2-5-3-6-4;;;;/h2-3H,1H3,(H,5,6);;3*1H/q;+3;;;/p-3.
What are the key properties of 5-methoxy-1H-imidazole;tribromogold?
5-methoxy-1H-imidazole;tribromogold has a molecular weight of 534.78 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-imidazole;tribromogold is sourced from PubChem (CID 175474881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).