iridium;5-methoxy-1-methyl-2-phenylimidazole

C11H11IrN2O- — CID 58769486

IUPACiridium;5-methoxy-1-methyl-2-phenylimidazole
SMILESCOc1cnc(-c2[c-]cccc2)n1C.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;/q-1;
InChIKeyWBQDUWWKYGKYES-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.89
Rot. Bonds2

About iridium;5-methoxy-1-methyl-2-phenylimidazole

iridium;5-methoxy-1-methyl-2-phenylimidazole (PubChem CID 58769486) has the molecular formula C11H11IrN2O- and a molecular weight of 379.44 g/mol. Its IUPAC name is iridium;5-methoxy-1-methyl-2-phenylimidazole.

Molecular Properties

Compound Nameiridium;5-methoxy-1-methyl-2-phenylimidazole
PubChem CID58769486
Molecular FormulaC11H11IrN2O-
Molecular Weight379.44 g/mol
Exact Mass380.05
IUPAC Nameiridium;5-methoxy-1-methyl-2-phenylimidazole
SMILESCOc1cnc(-c2[c-]cccc2)n1C.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;/q-1;
InChIKeyWBQDUWWKYGKYES-UHFFFAOYSA-N
XLogP1.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
CID 59661679
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460
1-cyclohexyl-5-methyl-2-phenylimidazole;iridium
CID 58162897
iridium;phenylbenzene
CID 58599975
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
3,5-dimethyl-2-phenylpyrazine;iridium
CID 58894530
1,5-dimethyl-3-phenyl-1,2,4-triazole;iridium
CID 140884032
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426416

Frequently Asked Questions

What is the IUPAC name of iridium;5-methoxy-1-methyl-2-phenylimidazole?
The IUPAC name of iridium;5-methoxy-1-methyl-2-phenylimidazole (CID 58769486) is iridium;5-methoxy-1-methyl-2-phenylimidazole.
What is the SMILES notation for iridium;5-methoxy-1-methyl-2-phenylimidazole?
The canonical SMILES for iridium;5-methoxy-1-methyl-2-phenylimidazole is COc1cnc(-c2[c-]cccc2)n1C.[Ir].
What is the InChIKey of iridium;5-methoxy-1-methyl-2-phenylimidazole?
The InChIKey is WBQDUWWKYGKYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.Ir/c1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;/q-1;.
What are the key properties of iridium;5-methoxy-1-methyl-2-phenylimidazole?
iridium;5-methoxy-1-methyl-2-phenylimidazole has a molecular weight of 379.44 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methoxy-1-methyl-2-phenylimidazole is sourced from PubChem (CID 58769486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).