iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione

C15H15IrN3O2 — CID 145497513

IUPACiridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
SMILESCc1cncn1CCCN1C(=O)c2ccccc2C1=O.[Ir]
InChIInChI=1S/C15H15N3O2.Ir/c1-11-9-16-10-17(11)7-4-8-18-14(19)12-5-2-3-6-13(12)15(18)20;/h2-3,5-6,9-10H,4,7-8H2,1H3;
InChIKeyRVMXTQSVTRNWEW-UHFFFAOYSA-N
MW461.52 g/mol
LogP1.88
Rot. Bonds4

About iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione

iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione (PubChem CID 145497513) has the molecular formula C15H15IrN3O2 and a molecular weight of 461.52 g/mol. Its IUPAC name is iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Nameiridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
PubChem CID145497513
Molecular FormulaC15H15IrN3O2
Molecular Weight461.52 g/mol
Exact Mass462.08
IUPAC Nameiridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
SMILESCc1cncn1CCCN1C(=O)c2ccccc2C1=O.[Ir]
InChIInChI=1S/C15H15N3O2.Ir/c1-11-9-16-10-17(11)7-4-8-18-14(19)12-5-2-3-6-13(12)15(18)20;/h2-3,5-6,9-10H,4,7-8H2,1H3;
InChIKeyRVMXTQSVTRNWEW-UHFFFAOYSA-N
XLogP1.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2,4,4-tetramethyl-5-(5-methylimidazol-1-yl)pentyl]isoindole-1,3-dione
CID 145497538
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 2779187
CID 57427465
CID 57427465
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
CID 90160720
2-[3-(2-benzyl-4-methylimidazol-1-yl)propyl]isoindole-1,3-dione
CID 19429377
2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione
CID 11530108
2-[3-(1,3-dimethyl-2-oxo-6-sulfanylidenepurin-7-yl)propyl]isoindole-1,3-dione
CID 164804714
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
2-[(E)-5-(3,5-dimethylpyrazol-1-yl)pent-4-enyl]isoindole-1,3-dione
CID 102593459

Frequently Asked Questions

What is the IUPAC name of iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione (CID 145497513) is iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione is Cc1cncn1CCCN1C(=O)c2ccccc2C1=O.[Ir].
What is the InChIKey of iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is RVMXTQSVTRNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2.Ir/c1-11-9-16-10-17(11)7-4-8-18-14(19)12-5-2-3-6-13(12)15(18)20;/h2-3,5-6,9-10H,4,7-8H2,1H3;.
What are the key properties of iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione?
iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 461.52 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 145497513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).