1-(2-iodophenyl)-4-methylimidazole

C10H9IN2 — CID 152683666

IUPAC1-(2-iodophenyl)-4-methylimidazole
SMILESCc1cn(-c2ccccc2I)cn1
InChIInChI=1S/C10H9IN2/c1-8-6-13(7-12-8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeyZOBXHJCXWJSGEP-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.79
Rot. Bonds1

About 1-(2-iodophenyl)-4-methylimidazole

1-(2-iodophenyl)-4-methylimidazole (PubChem CID 152683666) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 1-(2-iodophenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(2-iodophenyl)-4-methylimidazole
PubChem CID152683666
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name1-(2-iodophenyl)-4-methylimidazole
SMILESCc1cn(-c2ccccc2I)cn1
InChIInChI=1S/C10H9IN2/c1-8-6-13(7-12-8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeyZOBXHJCXWJSGEP-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-4-methylimidazole?
The IUPAC name of 1-(2-iodophenyl)-4-methylimidazole (CID 152683666) is 1-(2-iodophenyl)-4-methylimidazole.
What is the SMILES notation for 1-(2-iodophenyl)-4-methylimidazole?
The canonical SMILES for 1-(2-iodophenyl)-4-methylimidazole is Cc1cn(-c2ccccc2I)cn1.
What is the InChIKey of 1-(2-iodophenyl)-4-methylimidazole?
The InChIKey is ZOBXHJCXWJSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-8-6-13(7-12-8)10-5-3-2-4-9(10)11/h2-7H,1H3.
What are the key properties of 1-(2-iodophenyl)-4-methylimidazole?
1-(2-iodophenyl)-4-methylimidazole has a molecular weight of 284.10 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-4-methylimidazole is sourced from PubChem (CID 152683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).