iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol

C15H19IrN2O2- — CID 146899915

IUPACiridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
SMILESCC(O)=CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H9N2.C5H10O2.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;3-4,6-7H,1-2H3;/q-1;;
InChIKeyCGFONHKJZRDDDS-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.71
Rot. Bonds2

About iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol

iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol (PubChem CID 146899915) has the molecular formula C15H19IrN2O2- and a molecular weight of 451.55 g/mol. Its IUPAC name is iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol.

Molecular Properties

Compound Nameiridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
PubChem CID146899915
Molecular FormulaC15H19IrN2O2-
Molecular Weight451.55 g/mol
Exact Mass452.11
IUPAC Nameiridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
SMILESCC(O)=CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C10H9N2.C5H10O2.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;3-4,6-7H,1-2H3;/q-1;;
InChIKeyCGFONHKJZRDDDS-UHFFFAOYSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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;[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
(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
(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
CID 58401352
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769467
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
Iridium;1-methyl-2-phenylimidazole;pentane-2,4-diol
CID 59288704
Iridium;2-(3-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 59348254

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol?
The IUPAC name of iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol (CID 146899915) is iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol.
What is the SMILES notation for iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol?
The canonical SMILES for iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol is CC(O)=CC(C)O.Cn1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol?
The InChIKey is CGFONHKJZRDDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.C5H10O2.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;3-4,6-7H,1-2H3;/q-1;;.
What are the key properties of iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol?
iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol has a molecular weight of 451.55 g/mol, XLogP of 2.71, 2 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;pent-2-ene-2,4-diol is sourced from PubChem (CID 146899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).