3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C11H9IrN2- — CID 140590895

IUPAC3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILES[Ir].[c-]1cccc2c1C1=NCCN1C=C2
InChIInChI=1S/C11H9N2.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5,7H,6,8H2;/q-1;
InChIKeyXOLSNFYRHIXQQD-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.53
Rot. Bonds

About 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium

3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 140590895) has the molecular formula C11H9IrN2- and a molecular weight of 361.42 g/mol. Its IUPAC name is 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID140590895
Molecular FormulaC11H9IrN2-
Molecular Weight361.42 g/mol
Exact Mass362.04
IUPAC Name3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILES[Ir].[c-]1cccc2c1C1=NCCN1C=C2
InChIInChI=1S/C11H9N2.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5,7H,6,8H2;/q-1;
InChIKeyXOLSNFYRHIXQQD-UHFFFAOYSA-N
XLogP1.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.53
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 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 140590895) is 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium is [Ir].[c-]1cccc2c1C1=NCCN1C=C2.
What is the InChIKey of 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is XOLSNFYRHIXQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h1-3,5,7H,6,8H2;/q-1;.
What are the key properties of 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 361.42 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihydro-2H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 140590895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).