1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium

C11H12IrN2-2 — CID 140837724

IUPAC1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
SMILESCC1=CN(C)[CH-]N1c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H12N2.Ir/c1-10-8-12(2)9-13(10)11-6-4-3-5-7-11;/h3-6,8-9H,1-2H3;/q-2;
InChIKeyPCTFJSMFEBMVQY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.22
Rot. Bonds1

About 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium

1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium (PubChem CID 140837724) has the molecular formula C11H12IrN2-2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
PubChem CID140837724
Molecular FormulaC11H12IrN2-2
Molecular Weight364.45 g/mol
Exact Mass365.06
IUPAC Name1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
SMILESCC1=CN(C)[CH-]N1c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H12N2.Ir/c1-10-8-12(2)9-13(10)11-6-4-3-5-7-11;/h3-6,8-9H,1-2H3;/q-2;
InChIKeyPCTFJSMFEBMVQY-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.22
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

lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
CID 140677085
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
osmium;1,5,6-trimethyl-3-phenyl-2H-benzimidazol-2-ide;bis(tri(propan-2-yl)phosphanium)
CID 147264576
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
CID 140806316
2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;platinum(2+)
CID 58517990
bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514289
1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium
CID 140794449
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
iridium;1,4,7-trimethyl-3-phenyl-2H-benzimidazol-2-ylium
CID 58986620
platinum(4+);4,4,6,6-tetramethyl-1-phenyl-3-[1,1,2,2-tetradeuterio-2-(4,4,6,6-tetramethyl-1-phenyl-2,5-dihydrocyclopenta[d]imidazol-2-id-3-yl)ethyl]-2,5-dihydrocyclopenta[d]imidazol-2-ide
CID 140677112
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
CID 162283599

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium?
The IUPAC name of 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium (CID 140837724) is 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium is CC1=CN(C)[CH-]N1c1[c-]cccc1.[Ir].
What is the InChIKey of 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium?
The InChIKey is PCTFJSMFEBMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.Ir/c1-10-8-12(2)9-13(10)11-6-4-3-5-7-11;/h3-6,8-9H,1-2H3;/q-2;.
What are the key properties of 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium?
1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium has a molecular weight of 364.45 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 140837724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).