4-iodo-5-methyl-1H-imidazole

C4H5IN2 — CID 610310

IUPAC4-iodo-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1I
InChIInChI=1S/C4H5IN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKeyYKQGANWRJDKVAD-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.32
Rot. Bonds

About 4-iodo-5-methyl-1H-imidazole

4-iodo-5-methyl-1H-imidazole (PubChem CID 610310) has the molecular formula C4H5IN2 and a molecular weight of 208.00 g/mol. Its IUPAC name is 4-iodo-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-iodo-5-methyl-1H-imidazole
PubChem CID610310
Molecular FormulaC4H5IN2
Molecular Weight208.00 g/mol
Exact Mass207.95
IUPAC Name4-iodo-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1I
InChIInChI=1S/C4H5IN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKeyYKQGANWRJDKVAD-UHFFFAOYSA-N
XLogP1.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-5-methyl-1H-imidazole 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-iodo-5-methyl-1H-imidazole?
The IUPAC name of 4-iodo-5-methyl-1H-imidazole (CID 610310) is 4-iodo-5-methyl-1H-imidazole.
What is the SMILES notation for 4-iodo-5-methyl-1H-imidazole?
The canonical SMILES for 4-iodo-5-methyl-1H-imidazole is Cc1[nH]cnc1I.
What is the InChIKey of 4-iodo-5-methyl-1H-imidazole?
The InChIKey is YKQGANWRJDKVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7).
What are the key properties of 4-iodo-5-methyl-1H-imidazole?
4-iodo-5-methyl-1H-imidazole has a molecular weight of 208.00 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1H-imidazole is sourced from PubChem (CID 610310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).