iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

C12H9IrN2- — CID 58517724

IUPACiridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cn2ccnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-8-14-7-6-13-12(14)11-5-3-2-4-10(9)11;/h2-4,6-8H,1H3;/q-1;
InChIKeyZNFXUJKTTZECDF-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.59
Rot. Bonds

About iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (PubChem CID 58517724) has the molecular formula C12H9IrN2- and a molecular weight of 373.44 g/mol. Its IUPAC name is iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
PubChem CID58517724
Molecular FormulaC12H9IrN2-
Molecular Weight373.44 g/mol
Exact Mass374.04
IUPAC Nameiridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cn2ccnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-8-14-7-6-13-12(14)11-5-3-2-4-10(9)11;/h2-4,6-8H,1H3;/q-1;
InChIKeyZNFXUJKTTZECDF-UHFFFAOYSA-N
XLogP2.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.59
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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Related Compounds

4-(imidazol-1-ylmethyl)-2-methyl-1H-pyrrolo[2,3-h]quinoline
CID 136244612
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
Iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005808
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
1,3-Ditert-butyl-2-(phenylmethyl)imidazol-1-ium;yttrium
CID 134838136
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
2-(6,6-Difluorocyclohexen-1-yl)-1-methylimidazole
CID 59005672
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
CID 142149368
1-[(3-Ethyl-5-fluorocyclohexa-1,3-dien-1-yl)methyl]imidazole
CID 144457020

Frequently Asked Questions

What is the IUPAC name of iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (CID 58517724) is iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is Cc1cn2ccnc2c2[c-]cccc12.[Ir].
What is the InChIKey of iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The InChIKey is ZNFXUJKTTZECDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2.Ir/c1-9-8-14-7-6-13-12(14)11-5-3-2-4-10(9)11;/h2-4,6-8H,1H3;/q-1;.
What are the key properties of iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide has a molecular weight of 373.44 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).