2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C13H11IrN2- — CID 58517682

IUPAC2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCc1cn2ccc3c(C)cc[c-]c3c2n1.[Ir]
InChIInChI=1S/C13H11N2.Ir/c1-9-4-3-5-12-11(9)6-7-15-8-10(2)14-13(12)15;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyWSTIADCQVLLRNQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.90
Rot. Bonds

About 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 58517682) has the molecular formula C13H11IrN2- and a molecular weight of 387.46 g/mol. Its IUPAC name is 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID58517682
Molecular FormulaC13H11IrN2-
Molecular Weight387.46 g/mol
Exact Mass388.06
IUPAC Name2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCc1cn2ccc3c(C)cc[c-]c3c2n1.[Ir]
InChIInChI=1S/C13H11N2.Ir/c1-9-4-3-5-12-11(9)6-7-15-8-10(2)14-13(12)15;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyWSTIADCQVLLRNQ-UHFFFAOYSA-N
XLogP2.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 58517682) is 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is Cc1cn2ccc3c(C)cc[c-]c3c2n1.[Ir].
What is the InChIKey of 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is WSTIADCQVLLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2.Ir/c1-9-4-3-5-12-11(9)6-7-15-8-10(2)14-13(12)15;/h3-4,6-8H,1-2H3;/q-1;.
What are the key properties of 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 387.46 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).