2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium

C12H13IrN2O2- — CID 58769491

IUPAC2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCOc1c[c-]c(-c2nccn2C)c(OC)c1.[Ir]
InChIInChI=1S/C12H13N2O2.Ir/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;/h4,6-8H,1-3H3;/q-1;
InChIKeyTXNNSSZFFNISOV-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.90
Rot. Bonds3

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium (PubChem CID 58769491) has the molecular formula C12H13IrN2O2- and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium.

Molecular Properties

Compound Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
PubChem CID58769491
Molecular FormulaC12H13IrN2O2-
Molecular Weight409.47 g/mol
Exact Mass410.06
IUPAC Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESCOc1c[c-]c(-c2nccn2C)c(OC)c1.[Ir]
InChIInChI=1S/C12H13N2O2.Ir/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;/h4,6-8H,1-3H3;/q-1;
InChIKeyTXNNSSZFFNISOV-UHFFFAOYSA-N
XLogP1.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2Z,4E,6E)-3,7-difluoro-5-methoxyocta-2,4,6-trien-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 173865964
7-ethenyl-8-(1-fluoroethenyl)-5H-imidazo[1,2-c][1,3]oxazine
CID 177136746
14-Methoxy-13,15-dimethyl-6,8,11-triazatetracyclo[10.4.0.01,6.07,11]hexadeca-2,4,7,9,12,14-hexaene
CID 53648007
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-phenylimidazole
CID 57596145
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596156
Iridium;1-methyl-2-phenylimidazole
CID 57596182
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
Iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401306
CID 58518064
CID 58518064
5-Fluoro-1-methyl-2-phenylimidazole;iridium
CID 58769456

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium?
The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium (CID 58769491) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium.
What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium?
The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium is COc1c[c-]c(-c2nccn2C)c(OC)c1.[Ir].
What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium?
The InChIKey is TXNNSSZFFNISOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2.Ir/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;/h4,6-8H,1-3H3;/q-1;.
What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium?
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium has a molecular weight of 409.47 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium is sourced from PubChem (CID 58769491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).