1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium

C11H12IrN2 — CID 58454374

IUPAC1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium
SMILESCC1N=C(c2[c-]cccc2)C=[N+]1C.[Ir]
InChIInChI=1S/C11H12N2.Ir/c1-9-12-11(8-13(9)2)10-6-4-3-5-7-10;/h3-6,8-9H,1-2H3;
InChIKeyKYGHSARIMDRKRT-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.35
Rot. Bonds1

About 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium

1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium (PubChem CID 58454374) has the molecular formula C11H12IrN2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium.

Molecular Properties

Compound Name1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium
PubChem CID58454374
Molecular FormulaC11H12IrN2
Molecular Weight364.45 g/mol
Exact Mass365.06
IUPAC Name1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium
SMILESCC1N=C(c2[c-]cccc2)C=[N+]1C.[Ir]
InChIInChI=1S/C11H12N2.Ir/c1-9-12-11(8-13(9)2)10-6-4-3-5-7-10;/h3-6,8-9H,1-2H3;
InChIKeyKYGHSARIMDRKRT-UHFFFAOYSA-N
XLogP1.35
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Indole-spiro-pyrrole
CID 129780777
2-ethyl-1-methyl-2H-benzimidazol-1-ium
CID 90908036
iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium
CID 140553423
(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
CID 142230850
3,6-dimethyl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 153452302
3-methyl-2H-benzo[f]benzimidazol-3-ium
CID 3503152

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium?
The IUPAC name of 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium (CID 58454374) is 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium.
What is the SMILES notation for 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium?
The canonical SMILES for 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium is CC1N=C(c2[c-]cccc2)C=[N+]1C.[Ir].
What is the InChIKey of 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium?
The InChIKey is KYGHSARIMDRKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.Ir/c1-9-12-11(8-13(9)2)10-6-4-3-5-7-10;/h3-6,8-9H,1-2H3;.
What are the key properties of 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium?
1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium has a molecular weight of 364.45 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium is sourced from PubChem (CID 58454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).