1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium

C14H18IrN2-2 — CID 58106714

IUPAC1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]cccc2)[CH-]1.[Ir]
InChIInChI=1S/C14H18N2.Ir/c1-4-15-10-11-16(12-15)14(2,3)13-8-6-5-7-9-13;/h5-8,10-12H,4H2,1-3H3;/q-2;
InChIKeyCVBKQPDRGPKPLW-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.95
Rot. Bonds3

About 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium

1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium (PubChem CID 58106714) has the molecular formula C14H18IrN2-2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
PubChem CID58106714
Molecular FormulaC14H18IrN2-2
Molecular Weight406.53 g/mol
Exact Mass407.11
IUPAC Name1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]cccc2)[CH-]1.[Ir]
InChIInChI=1S/C14H18N2.Ir/c1-4-15-10-11-16(12-15)14(2,3)13-8-6-5-7-9-13;/h5-8,10-12H,4H2,1-3H3;/q-2;
InChIKeyCVBKQPDRGPKPLW-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.95
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 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The IUPAC name of 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium (CID 58106714) is 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium is CCN1C=CN(C(C)(C)c2[c-]cccc2)[CH-]1.[Ir].
What is the InChIKey of 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
The InChIKey is CVBKQPDRGPKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.Ir/c1-4-15-10-11-16(12-15)14(2,3)13-8-6-5-7-9-13;/h5-8,10-12H,4H2,1-3H3;/q-2;.
What are the key properties of 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium?
1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium has a molecular weight of 406.53 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 58106714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).