1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium

C16H22IrN2-2 — CID 58106905

IUPAC1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
SMILESCCN1[CH-]N(C(C)(C)c2[c-]cccc2)C(C)=C1C.[Ir]
InChIInChI=1S/C16H22N2.Ir/c1-6-17-12-18(14(3)13(17)2)16(4,5)15-10-8-7-9-11-15;/h7-10,12H,6H2,1-5H3;/q-2;
InChIKeyNJAIXIJFRCLQNT-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.73
Rot. Bonds3

About 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium

1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium (PubChem CID 58106905) has the molecular formula C16H22IrN2-2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
PubChem CID58106905
Molecular FormulaC16H22IrN2-2
Molecular Weight434.58 g/mol
Exact Mass435.14
IUPAC Name1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
SMILESCCN1[CH-]N(C(C)(C)c2[c-]cccc2)C(C)=C1C.[Ir]
InChIInChI=1S/C16H22N2.Ir/c1-6-17-12-18(14(3)13(17)2)16(4,5)15-10-8-7-9-11-15;/h7-10,12H,6H2,1-5H3;/q-2;
InChIKeyNJAIXIJFRCLQNT-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The IUPAC name of 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium (CID 58106905) is 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium is CCN1[CH-]N(C(C)(C)c2[c-]cccc2)C(C)=C1C.[Ir].
What is the InChIKey of 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The InChIKey is NJAIXIJFRCLQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.Ir/c1-6-17-12-18(14(3)13(17)2)16(4,5)15-10-8-7-9-11-15;/h7-10,12H,6H2,1-5H3;/q-2;.
What are the key properties of 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium has a molecular weight of 434.58 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 58106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).