iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol

C11H11IrN2O- — CID 58113404

IUPACiridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
SMILESCn1ccnc1-c1[c-]ccc(CO)c1.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;/h2-3,5-7,14H,8H2,1H3;/q-1;
InChIKeyBITNQXVIBOECJG-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.38
Rot. Bonds2

About iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol

iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol (PubChem CID 58113404) has the molecular formula C11H11IrN2O- and a molecular weight of 379.44 g/mol. Its IUPAC name is iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol.

Molecular Properties

Compound Nameiridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
PubChem CID58113404
Molecular FormulaC11H11IrN2O-
Molecular Weight379.44 g/mol
Exact Mass380.05
IUPAC Nameiridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
SMILESCn1ccnc1-c1[c-]ccc(CO)c1.[Ir]
InChIInChI=1S/C11H11N2O.Ir/c1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;/h2-3,5-7,14H,8H2,1H3;/q-1;
InChIKeyBITNQXVIBOECJG-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;iridium
CID 57596180
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;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517826
[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58518111
2-(4-Fluorobenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769475
Iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole
CID 58769482
Iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
CID 59288704
2-(4-Ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 59307395
Iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 59348254

Frequently Asked Questions

What is the IUPAC name of iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol?
The IUPAC name of iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol (CID 58113404) is iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol.
What is the SMILES notation for iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol?
The canonical SMILES for iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol is Cn1ccnc1-c1[c-]ccc(CO)c1.[Ir].
What is the InChIKey of iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol?
The InChIKey is BITNQXVIBOECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.Ir/c1-13-6-5-12-11(13)10-4-2-3-9(7-10)8-14;/h2-3,5-7,14H,8H2,1H3;/q-1;.
What are the key properties of iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol?
iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol has a molecular weight of 379.44 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol is sourced from PubChem (CID 58113404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).