iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

C12H9IrN2- — CID 58518116

IUPACiridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cc[c-]c2c1ccn1ccnc21.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-3-2-4-11-10(9)5-7-14-8-6-13-12(11)14;/h2-3,5-8H,1H3;/q-1;
InChIKeyORCVESOPXVPJFL-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.59
Rot. Bonds

About iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide

iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (PubChem CID 58518116) has the molecular formula C12H9IrN2- and a molecular weight of 373.44 g/mol. Its IUPAC name is iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
PubChem CID58518116
Molecular FormulaC12H9IrN2-
Molecular Weight373.44 g/mol
Exact Mass374.04
IUPAC Nameiridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESCc1cc[c-]c2c1ccn1ccnc21.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-9-3-2-4-11-10(9)5-7-14-8-6-13-12(11)14;/h2-3,5-8H,1H3;/q-1;
InChIKeyORCVESOPXVPJFL-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
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CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
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-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
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
1-(Cyclohepta-1,3,5-trien-1-ylmethyl)imidazole
CID 12899030

Frequently Asked Questions

What is the IUPAC name of iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide (CID 58518116) is iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is Cc1cc[c-]c2c1ccn1ccnc21.[Ir].
What is the InChIKey of iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
The InChIKey is ORCVESOPXVPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2.Ir/c1-9-3-2-4-11-10(9)5-7-14-8-6-13-12(11)14;/h2-3,5-8H,1H3;/q-1;.
What are the key properties of iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide?
iridium;7-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;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58518116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).