2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium

C14H18IrN3- — CID 58814045

IUPAC2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium
SMILESCc1cnc(-n2[c-]nc(C(C)(C)C)c2)cc1C.[Ir]
InChIInChI=1S/C14H18N3.Ir/c1-10-6-13(15-7-11(10)2)17-8-12(16-9-17)14(3,4)5;/h6-8H,1-5H3;/q-1;
InChIKeyOMZQNHQTXLCXLS-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.98
Rot. Bonds1

About 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium

2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium (PubChem CID 58814045) has the molecular formula C14H18IrN3- and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium.

Molecular Properties

Compound Name2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium
PubChem CID58814045
Molecular FormulaC14H18IrN3-
Molecular Weight420.54 g/mol
Exact Mass421.11
IUPAC Name2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium
SMILESCc1cnc(-n2[c-]nc(C(C)(C)C)c2)cc1C.[Ir]
InChIInChI=1S/C14H18N3.Ir/c1-10-6-13(15-7-11(10)2)17-8-12(16-9-17)14(3,4)5;/h6-8H,1-5H3;/q-1;
InChIKeyOMZQNHQTXLCXLS-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium?
The IUPAC name of 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium (CID 58814045) is 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium.
What is the SMILES notation for 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium?
The canonical SMILES for 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium is Cc1cnc(-n2[c-]nc(C(C)(C)C)c2)cc1C.[Ir].
What is the InChIKey of 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium?
The InChIKey is OMZQNHQTXLCXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3.Ir/c1-10-6-13(15-7-11(10)2)17-8-12(16-9-17)14(3,4)5;/h6-8H,1-5H3;/q-1;.
What are the key properties of 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium?
2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium has a molecular weight of 420.54 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-4,5-dimethylpyridine;iridium is sourced from PubChem (CID 58814045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).