iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol

C15H21IrN2O2- — CID 59288704

IUPACiridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
SMILESCC(O)CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H9N2.C5H12O2.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;/h2-5,7-8H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyMJKUHDCJMGRSAA-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.02
Rot. Bonds3

About iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol

iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol (PubChem CID 59288704) has the molecular formula C15H21IrN2O2- and a molecular weight of 453.56 g/mol. Its IUPAC name is iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol.

Molecular Properties

Compound Nameiridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
PubChem CID59288704
Molecular FormulaC15H21IrN2O2-
Molecular Weight453.56 g/mol
Exact Mass454.12
IUPAC Nameiridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
SMILESCC(O)CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H9N2.C5H12O2.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;/h2-5,7-8H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyMJKUHDCJMGRSAA-UHFFFAOYSA-N
XLogP2.02
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
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;1-methyl-2-phenylimidazole
CID 57596145
Iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
CID 58113404
Iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
Iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
CID 146899915

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol?
The IUPAC name of iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol (CID 59288704) is iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol.
What is the SMILES notation for iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol?
The canonical SMILES for iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol is CC(O)CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol?
The InChIKey is MJKUHDCJMGRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.C5H12O2.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;/h2-5,7-8H,1H3;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol?
iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol has a molecular weight of 453.56 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol is sourced from PubChem (CID 59288704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).