4,5-dihydro-1H-imidazole;iron

C3H6FeN2 — CID 159609586

IUPAC4,5-dihydro-1H-imidazole;iron
SMILESC1=NCCN1.[Fe]
InChIInChI=1S/C3H6N2.Fe/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);
InChIKeyMMMXQUFAZCVMEQ-UHFFFAOYSA-N
MW125.94 g/mol
LogP-0.38
Rot. Bonds

About 4,5-dihydro-1H-imidazole;iron

4,5-dihydro-1H-imidazole;iron (PubChem CID 159609586) has the molecular formula C3H6FeN2 and a molecular weight of 125.94 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;iron.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;iron
PubChem CID159609586
Molecular FormulaC3H6FeN2
Molecular Weight125.94 g/mol
Exact Mass125.99
IUPAC Name4,5-dihydro-1H-imidazole;iron
SMILESC1=NCCN1.[Fe]
InChIInChI=1S/C3H6N2.Fe/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);
InChIKeyMMMXQUFAZCVMEQ-UHFFFAOYSA-N
XLogP-0.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.94
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dihydro-1H-imidazole;iron with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;iron?
The IUPAC name of 4,5-dihydro-1H-imidazole;iron (CID 159609586) is 4,5-dihydro-1H-imidazole;iron.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;iron?
The canonical SMILES for 4,5-dihydro-1H-imidazole;iron is C1=NCCN1.[Fe].
What is the InChIKey of 4,5-dihydro-1H-imidazole;iron?
The InChIKey is MMMXQUFAZCVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.Fe/c1-2-5-3-4-1;/h3H,1-2H2,(H,4,5);.
What are the key properties of 4,5-dihydro-1H-imidazole;iron?
4,5-dihydro-1H-imidazole;iron has a molecular weight of 125.94 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;iron is sourced from PubChem (CID 159609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).