bis(1H-imidazole);iron;pyridine

C11H13FeN5 — CID 175213416

IUPACbis(1H-imidazole);iron;pyridine
SMILES[Fe].c1c[nH]cn1.c1c[nH]cn1.c1ccncc1
InChIInChI=1S/C5H5N.2C3H4N2.Fe/c1-2-4-6-5-3-1;2*1-2-5-3-4-1;/h1-5H;2*1-3H,(H,4,5);
InChIKeyUIPJSPQURBLVJP-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.90
Rot. Bonds

About bis(1H-imidazole);iron;pyridine

bis(1H-imidazole);iron;pyridine (PubChem CID 175213416) has the molecular formula C11H13FeN5 and a molecular weight of 271.11 g/mol. Its IUPAC name is bis(1H-imidazole);iron;pyridine.

Molecular Properties

Compound Namebis(1H-imidazole);iron;pyridine
PubChem CID175213416
Molecular FormulaC11H13FeN5
Molecular Weight271.11 g/mol
Exact Mass271.05
IUPAC Namebis(1H-imidazole);iron;pyridine
SMILES[Fe].c1c[nH]cn1.c1c[nH]cn1.c1ccncc1
InChIInChI=1S/C5H5N.2C3H4N2.Fe/c1-2-4-6-5-3-1;2*1-2-5-3-4-1;/h1-5H;2*1-3H,(H,4,5);
InChIKeyUIPJSPQURBLVJP-UHFFFAOYSA-N
XLogP1.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(1H-imidazole);iron;pyridine 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

1H-imidazole;pyridine;hydrochloride
CID 66994146
benzene;1H-imidazole;hydrochloride
CID 162098896
cobalt;1H-imidazole;iron
CID 175132230
1H-imidazole;tetrahydrochloride
CID 141350371
CID 175227621
CID 175227621
cerium(4+);1H-imidazole
CID 175891649
chloranium 1H-imidazole
CID 172826260
CID 70626960
CID 70626960
1H-imidazole;nickel(2+);dichloride
CID 175789081
1H-imidazole;ruthenium(2+)
CID 23025261
1H-imidazole;dihydrate
CID 67700139
potassium 1H-imidazole
CID 18415043

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);iron;pyridine?
The IUPAC name of bis(1H-imidazole);iron;pyridine (CID 175213416) is bis(1H-imidazole);iron;pyridine.
What is the SMILES notation for bis(1H-imidazole);iron;pyridine?
The canonical SMILES for bis(1H-imidazole);iron;pyridine is [Fe].c1c[nH]cn1.c1c[nH]cn1.c1ccncc1.
What is the InChIKey of bis(1H-imidazole);iron;pyridine?
The InChIKey is UIPJSPQURBLVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C3H4N2.Fe/c1-2-4-6-5-3-1;2*1-2-5-3-4-1;/h1-5H;2*1-3H,(H,4,5);.
What are the key properties of bis(1H-imidazole);iron;pyridine?
bis(1H-imidazole);iron;pyridine has a molecular weight of 271.11 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);iron;pyridine is sourced from PubChem (CID 175213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).