iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol

C12H13IrN2O2- — CID 58202900

IUPACiridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
SMILESCOc1c[c-]c(-c2nccn2C)c(CO)c1.[Ir]
InChIInChI=1S/C12H13N2O2.Ir/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;/h3,5-7,15H,8H2,1-2H3;/q-1;
InChIKeyPSFIJCIDOBKSHT-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.39
Rot. Bonds3

About iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol

iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol (PubChem CID 58202900) has the molecular formula C12H13IrN2O2- and a molecular weight of 409.47 g/mol. Its IUPAC name is iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol.

Molecular Properties

Compound Nameiridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
PubChem CID58202900
Molecular FormulaC12H13IrN2O2-
Molecular Weight409.47 g/mol
Exact Mass410.06
IUPAC Nameiridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
SMILESCOc1c[c-]c(-c2nccn2C)c(CO)c1.[Ir]
InChIInChI=1S/C12H13N2O2.Ir/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;/h3,5-7,15H,8H2,1-2H3;/q-1;
InChIKeyPSFIJCIDOBKSHT-UHFFFAOYSA-N
XLogP1.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
Iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
CID 58113404
(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
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401401
2-(2-Methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401732
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
2-(3-Bromo-4-methoxybenzene-6-id-1-yl)-1-(1-methylimidazol-2-yl)imidazole;iridium
CID 58947203
Iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
CID 59288704
Iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 59348254
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)
CID 59661451
Iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
CID 146899915
2-(2-Methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;yttrium
CID 176588755

Frequently Asked Questions

What is the IUPAC name of iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol?
The IUPAC name of iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol (CID 58202900) is iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol.
What is the SMILES notation for iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol?
The canonical SMILES for iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol is COc1c[c-]c(-c2nccn2C)c(CO)c1.[Ir].
What is the InChIKey of iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol?
The InChIKey is PSFIJCIDOBKSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2.Ir/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;/h3,5-7,15H,8H2,1-2H3;/q-1;.
What are the key properties of iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol?
iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol has a molecular weight of 409.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol is sourced from PubChem (CID 58202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).