1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium

C14H18IrN2-2 — CID 59404002

IUPAC1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
SMILESCN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Ir]
InChIInChI=1S/C14H18N2.Ir/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;
InChIKeyFERRHZPTFQGUKY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.12
Rot. Bonds1

About 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium

1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium (PubChem CID 59404002) has the molecular formula C14H18IrN2-2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
PubChem CID59404002
Molecular FormulaC14H18IrN2-2
Molecular Weight406.53 g/mol
Exact Mass407.11
IUPAC Name1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
SMILESCN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Ir]
InChIInChI=1S/C14H18N2.Ir/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;
InChIKeyFERRHZPTFQGUKY-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.12
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-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium (CID 59404002) is 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium is CN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Ir].
What is the InChIKey of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The InChIKey is FERRHZPTFQGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.Ir/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;.
What are the key properties of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium has a molecular weight of 406.53 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 59404002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).