iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one

C17H11IrN2O2- — CID 59302092

IUPACiridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one
SMILESCn1c(-c2[c-]c3ccccc3oc2=O)nc2ccccc21.[Ir]
InChIInChI=1S/C17H11N2O2.Ir/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;/h2-9H,1H3;/q-1;
InChIKeyJMMPZIQJSNSPMY-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.14
Rot. Bonds1

About iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one

iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one (PubChem CID 59302092) has the molecular formula C17H11IrN2O2- and a molecular weight of 467.50 g/mol. Its IUPAC name is iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one.

Molecular Properties

Compound Nameiridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one
PubChem CID59302092
Molecular FormulaC17H11IrN2O2-
Molecular Weight467.50 g/mol
Exact Mass468.05
IUPAC Nameiridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one
SMILESCn1c(-c2[c-]c3ccccc3oc2=O)nc2ccccc21.[Ir]
InChIInChI=1S/C17H11N2O2.Ir/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;/h2-9H,1H3;/q-1;
InChIKeyJMMPZIQJSNSPMY-UHFFFAOYSA-N
XLogP3.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 146405991

Frequently Asked Questions

What is the IUPAC name of iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one?
The IUPAC name of iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one (CID 59302092) is iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one.
What is the SMILES notation for iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one?
The canonical SMILES for iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one is Cn1c(-c2[c-]c3ccccc3oc2=O)nc2ccccc21.[Ir].
What is the InChIKey of iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one?
The InChIKey is JMMPZIQJSNSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O2.Ir/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20;/h2-9H,1H3;/q-1;.
What are the key properties of iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one?
iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one has a molecular weight of 467.50 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one is sourced from PubChem (CID 59302092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).