1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium

C17H14N4ORu — CID 175349925

IUPAC1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium
SMILESCC(=O)c1ncc[nH]1.[Ru].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.C5H6N2O.Ru/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-4(8)5-6-2-3-7-5;/h1-8H;2-3H,1H3,(H,6,7);
InChIKeyWOFLQUAQUHRFNL-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.39
Rot. Bonds1

About 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium

1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium (PubChem CID 175349925) has the molecular formula C17H14N4ORu and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium
PubChem CID175349925
Molecular FormulaC17H14N4ORu
Molecular Weight391.40 g/mol
Exact Mass392.02
IUPAC Name1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium
SMILESCC(=O)c1ncc[nH]1.[Ru].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.C5H6N2O.Ru/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-4(8)5-6-2-3-7-5;/h1-8H;2-3H,1H3,(H,6,7);
InChIKeyWOFLQUAQUHRFNL-UHFFFAOYSA-N
XLogP3.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium?
The IUPAC name of 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium (CID 175349925) is 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium.
What is the SMILES notation for 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium?
The canonical SMILES for 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium is CC(=O)c1ncc[nH]1.[Ru].c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium?
The InChIKey is WOFLQUAQUHRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C5H6N2O.Ru/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-4(8)5-6-2-3-7-5;/h1-8H;2-3H,1H3,(H,6,7);.
What are the key properties of 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium?
1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium has a molecular weight of 391.40 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium is sourced from PubChem (CID 175349925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).