iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole

C11H11IrN2O- — CID 59348254

IUPACiridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
SMILESCOc1cc[c-]c(-c2nccn2C)c1.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-7-6-12-11(13)9-4-3-5-10(8-9)14-2;/h3,5-8H,1-2H3;/q-1;
InChIKeyTZZFOIZEFDWNQX-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.89
Rot. Bonds2

About iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole

iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole (PubChem CID 59348254) has the molecular formula C11H11IrN2O- and a molecular weight of 379.44 g/mol. Its IUPAC name is iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole.

Molecular Properties

Compound Nameiridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
PubChem CID59348254
Molecular FormulaC11H11IrN2O-
Molecular Weight379.44 g/mol
Exact Mass380.05
IUPAC Nameiridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
SMILESCOc1cc[c-]c(-c2nccn2C)c1.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-7-6-12-11(13)9-4-3-5-10(8-9)14-2;/h3,5-8H,1-2H3;/q-1;
InChIKeyTZZFOIZEFDWNQX-UHFFFAOYSA-N
XLogP1.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
N-[(E)-2-fluoro-2-(7-methyl-5H-imidazo[1,2-c][1,3]oxazin-8-yl)ethenyl]methanimine
CID 177136648
7-ethenyl-8-(1-fluoroethenyl)-5H-imidazo[1,2-c][1,3]oxazine
CID 177136746
8-(1-fluoroethenyl)-7-methyl-5H-imidazo[1,2-c][1,3]oxazine
CID 177136852
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;iridium
CID 57596180
Iridium;1-methyl-2-phenylimidazole
CID 57596182
Iridium;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole
CID 57653835
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide
CID 57816041
Iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
CID 58113404
iridium;N-methyl-1-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanamine
CID 58113406

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole?
The IUPAC name of iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole (CID 59348254) is iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole.
What is the SMILES notation for iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole?
The canonical SMILES for iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole is COc1cc[c-]c(-c2nccn2C)c1.[Ir].
What is the InChIKey of iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole?
The InChIKey is TZZFOIZEFDWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.Ir/c1-13-7-6-12-11(13)9-4-3-5-10(8-9)14-2;/h3,5-8H,1-2H3;/q-1;.
What are the key properties of iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole?
iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole has a molecular weight of 379.44 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole is sourced from PubChem (CID 59348254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).