2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C15H13IrN2- — CID 58517603

IUPAC2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILES[Ir].[c-]1cccc2ccn3cc(CC4CC4)nc3c12
InChIInChI=1S/C15H13N2.Ir/c1-2-4-14-12(3-1)7-8-17-10-13(16-15(14)17)9-11-5-6-11;/h1-3,7-8,10-11H,5-6,9H2;/q-1;
InChIKeyVSVVUAIEBIYODW-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.24
Rot. Bonds2

About 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 58517603) has the molecular formula C15H13IrN2- and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID58517603
Molecular FormulaC15H13IrN2-
Molecular Weight413.50 g/mol
Exact Mass414.07
IUPAC Name2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILES[Ir].[c-]1cccc2ccn3cc(CC4CC4)nc3c12
InChIInChI=1S/C15H13N2.Ir/c1-2-4-14-12(3-1)7-8-17-10-13(16-15(14)17)9-11-5-6-11;/h1-3,7-8,10-11H,5-6,9H2;/q-1;
InChIKeyVSVVUAIEBIYODW-UHFFFAOYSA-N
XLogP3.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 138637039
CID 138637039
CID 155366765
CID 155366765
CID 175970345
CID 175970345
CID 58161823
CID 58161823
CID 58471956
CID 58471956
CID 58517460
CID 58517460
CID 58517514
CID 58517514
CID 58517570
CID 58517570
CID 58517582
CID 58517582
CID 58517585
CID 58517585
CID 58517682
CID 58517682
CID 58517782
CID 58517782

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 58517603) is 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is [Ir].[c-]1cccc2ccn3cc(CC4CC4)nc3c12.
What is the InChIKey of 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is VSVVUAIEBIYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2.Ir/c1-2-4-14-12(3-1)7-8-17-10-13(16-15(14)17)9-11-5-6-11;/h1-3,7-8,10-11H,5-6,9H2;/q-1;.
What are the key properties of 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 413.50 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).