iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium

C10H10IrN2 — CID 58986751

IUPACiridium;1-methyl-3-phenyl-2H-imidazol-2-ylium
SMILESCn1ccn(-c2[c-]cccc2)[cH+]1.[Ir]
InChIInChI=1S/C10H10N2.Ir/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;
InChIKeyGCRCOFGFZWZQLZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.89
Rot. Bonds1

About iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium

iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium (PubChem CID 58986751) has the molecular formula C10H10IrN2 and a molecular weight of 350.42 g/mol. Its IUPAC name is iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium.

Molecular Properties

Compound Nameiridium;1-methyl-3-phenyl-2H-imidazol-2-ylium
PubChem CID58986751
Molecular FormulaC10H10IrN2
Molecular Weight350.42 g/mol
Exact Mass351.05
IUPAC Nameiridium;1-methyl-3-phenyl-2H-imidazol-2-ylium
SMILESCn1ccn(-c2[c-]cccc2)[cH+]1.[Ir]
InChIInChI=1S/C10H10N2.Ir/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;
InChIKeyGCRCOFGFZWZQLZ-UHFFFAOYSA-N
XLogP1.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.89
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

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CID 134716186
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6,8,11-Triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,15-hexaene
CID 23323560
1-[(E)-but-2-en-2-yl]imidazole
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6,8,11-Triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,14-hexaene
CID 53861737
N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;iridium
CID 57596180
Iridium;1-methyl-2-phenylimidazole
CID 57596182
iridium;2-(1-methylimidazol-2-yl)-3H-pyridin-3-ide
CID 57816020
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
CID 58517527
CID 58517527
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 58556318

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium?
The IUPAC name of iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium (CID 58986751) is iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium.
What is the SMILES notation for iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium?
The canonical SMILES for iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium is Cn1ccn(-c2[c-]cccc2)[cH+]1.[Ir].
What is the InChIKey of iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium?
The InChIKey is GCRCOFGFZWZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.Ir/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;.
What are the key properties of iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium?
iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium has a molecular weight of 350.42 g/mol, XLogP of 1.89, 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-phenyl-2H-imidazol-2-ylium is sourced from PubChem (CID 58986751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).