2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium

C12H13IrN2- — CID 58769467

IUPAC2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCc1c[c-]c(-c2nccn2C)c(C)c1.[Ir]
InChIInChI=1S/C12H13N2.Ir/c1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h4,6-8H,1-3H3;/q-1;
InChIKeyAZOWTERSUYOMNU-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.50
Rot. Bonds1

About 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium

2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium (PubChem CID 58769467) has the molecular formula C12H13IrN2- and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium.

Molecular Properties

Compound Name2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium
PubChem CID58769467
Molecular FormulaC12H13IrN2-
Molecular Weight377.47 g/mol
Exact Mass378.07
IUPAC Name2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCc1c[c-]c(-c2nccn2C)c(C)c1.[Ir]
InChIInChI=1S/C12H13N2.Ir/c1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h4,6-8H,1-3H3;/q-1;
InChIKeyAZOWTERSUYOMNU-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.50
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

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole
CID 134972360
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
CID 142149368
5,6-Dihydroimidazo[1,2-a]pyridine
CID 10419162
1-(Cyclopenta-2,4-dien-1-ylmethyl)-3-methylimidazol-3-ium
CID 15397539
1,5-dimethyl-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 20617616
7-Methyl-5,6-dihydroimidazo[1,2-a]pyridine
CID 21040101
1-(Cyclohexa-1,5-dien-1-ylmethyl)imidazole
CID 21950680

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium (CID 58769467) is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium.
What is the SMILES notation for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The canonical SMILES for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium is Cc1c[c-]c(-c2nccn2C)c(C)c1.[Ir].
What is the InChIKey of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The InChIKey is AZOWTERSUYOMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.Ir/c1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h4,6-8H,1-3H3;/q-1;.
What are the key properties of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium has a molecular weight of 377.47 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium is sourced from PubChem (CID 58769467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).