1-tert-butyl-4-chloro-5-iodoimidazole

C7H10ClIN2 — CID 129303243

IUPAC1-tert-butyl-4-chloro-5-iodoimidazole
SMILESCC(C)(C)n1cnc(Cl)c1I
InChIInChI=1S/C7H10ClIN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLICZTJQIWBUJLA-UHFFFAOYSA-N
MW284.53 g/mol
LogP2.90
Rot. Bonds

About 1-tert-butyl-4-chloro-5-iodoimidazole

1-tert-butyl-4-chloro-5-iodoimidazole (PubChem CID 129303243) has the molecular formula C7H10ClIN2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-5-iodoimidazole.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-5-iodoimidazole
PubChem CID129303243
Molecular FormulaC7H10ClIN2
Molecular Weight284.53 g/mol
Exact Mass283.96
IUPAC Name1-tert-butyl-4-chloro-5-iodoimidazole
SMILESCC(C)(C)n1cnc(Cl)c1I
InChIInChI=1S/C7H10ClIN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLICZTJQIWBUJLA-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-chloro-5-iodoimidazole 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 1-tert-butyl-4-chloro-5-iodoimidazole?
The IUPAC name of 1-tert-butyl-4-chloro-5-iodoimidazole (CID 129303243) is 1-tert-butyl-4-chloro-5-iodoimidazole.
What is the SMILES notation for 1-tert-butyl-4-chloro-5-iodoimidazole?
The canonical SMILES for 1-tert-butyl-4-chloro-5-iodoimidazole is CC(C)(C)n1cnc(Cl)c1I.
What is the InChIKey of 1-tert-butyl-4-chloro-5-iodoimidazole?
The InChIKey is LICZTJQIWBUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClIN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3.
What are the key properties of 1-tert-butyl-4-chloro-5-iodoimidazole?
1-tert-butyl-4-chloro-5-iodoimidazole has a molecular weight of 284.53 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-5-iodoimidazole is sourced from PubChem (CID 129303243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).