1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium

C10H9FIrN2-2 — CID 58766133

IUPAC1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir]
InChIInChI=1S/C10H9FN2.Ir/c1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;/h2-4,6-8H,1H3;/q-2;
InChIKeyVPFHNBCSYPMODV-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.97
Rot. Bonds1

About 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium

1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium (PubChem CID 58766133) has the molecular formula C10H9FIrN2-2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
PubChem CID58766133
Molecular FormulaC10H9FIrN2-2
Molecular Weight368.41 g/mol
Exact Mass369.04
IUPAC Name1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir]
InChIInChI=1S/C10H9FN2.Ir/c1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;/h2-4,6-8H,1H3;/q-2;
InChIKeyVPFHNBCSYPMODV-UHFFFAOYSA-N
XLogP1.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.97
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-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium (CID 58766133) is 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir].
What is the InChIKey of 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
The InChIKey is VPFHNBCSYPMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.Ir/c1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;/h2-4,6-8H,1H3;/q-2;.
What are the key properties of 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium?
1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium has a molecular weight of 368.41 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 58766133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).