iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide

C11H9F3IrN2-2 — CID 59404015

IUPACiridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide
SMILESCN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Ir]
InChIInChI=1S/C11H9F3N2.Ir/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;
InChIKeyHWEIOBBTJVGQEU-UHFFFAOYSA-N
MW418.42 g/mol
LogP2.85
Rot. Bonds1

About iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide

iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide (PubChem CID 59404015) has the molecular formula C11H9F3IrN2-2 and a molecular weight of 418.42 g/mol. Its IUPAC name is iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide.

Molecular Properties

Compound Nameiridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide
PubChem CID59404015
Molecular FormulaC11H9F3IrN2-2
Molecular Weight418.42 g/mol
Exact Mass419.04
IUPAC Nameiridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide
SMILESCN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Ir]
InChIInChI=1S/C11H9F3N2.Ir/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;
InChIKeyHWEIOBBTJVGQEU-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.85
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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Related Compounds

1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(2+)
CID 59403993
1,2-dimethyl-7-(trifluoromethyl)-8aH-imidazo[1,2-a]pyridine
CID 146507555
3-Methylidene-2-prop-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 166079051
3,4-Dimethyl-7-(trifluoromethyl)-3a,6,7,8b-tetrahydropyrrolo[2,3-b]indole
CID 170271062
4-Fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517630
2,6-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517673
2-Ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517691
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892
Iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517932
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
CID 58766133
1-(3-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
CID 59403944

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The IUPAC name of iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide (CID 59404015) is iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide.
What is the SMILES notation for iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The canonical SMILES for iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide is CN1C=CN(c2[c-]ccc(C(F)(F)F)c2)[CH-]1.[Ir].
What is the InChIKey of iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The InChIKey is HWEIOBBTJVGQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2.Ir/c1-15-5-6-16(8-15)10-4-2-3-9(7-10)11(12,13)14;/h2-3,5-8H,1H3;/q-2;.
What are the key properties of iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide has a molecular weight of 418.42 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-3-[3-(trifluoromethyl)benzene-6-id-1-yl]-2H-imidazol-2-ide is sourced from PubChem (CID 59404015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).