iridium;2-methylidenebenzimidazole

C8H6IrN2 — CID 173124515

IUPACiridium;2-methylidenebenzimidazole
SMILESC=C1N=c2ccccc2=N1.[Ir]
InChIInChI=1S/C8H6N2.Ir/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H2;
InChIKeyPKBPPJBPOXBBAZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.41
Rot. Bonds

About iridium;2-methylidenebenzimidazole

iridium;2-methylidenebenzimidazole (PubChem CID 173124515) has the molecular formula C8H6IrN2 and a molecular weight of 322.37 g/mol. Its IUPAC name is iridium;2-methylidenebenzimidazole.

Molecular Properties

Compound Nameiridium;2-methylidenebenzimidazole
PubChem CID173124515
Molecular FormulaC8H6IrN2
Molecular Weight322.37 g/mol
Exact Mass323.02
IUPAC Nameiridium;2-methylidenebenzimidazole
SMILESC=C1N=c2ccccc2=N1.[Ir]
InChIInChI=1S/C8H6N2.Ir/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H2;
InChIKeyPKBPPJBPOXBBAZ-UHFFFAOYSA-N
XLogP0.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of iridium;2-methylidenebenzimidazole?
The IUPAC name of iridium;2-methylidenebenzimidazole (CID 173124515) is iridium;2-methylidenebenzimidazole.
What is the SMILES notation for iridium;2-methylidenebenzimidazole?
The canonical SMILES for iridium;2-methylidenebenzimidazole is C=C1N=c2ccccc2=N1.[Ir].
What is the InChIKey of iridium;2-methylidenebenzimidazole?
The InChIKey is PKBPPJBPOXBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.Ir/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H2;.
What are the key properties of iridium;2-methylidenebenzimidazole?
iridium;2-methylidenebenzimidazole has a molecular weight of 322.37 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methylidenebenzimidazole is sourced from PubChem (CID 173124515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).