1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole

C11H10ClIN2 — CID 86703963

IUPAC1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole
SMILESClc1ccccc1CCn1cnc(I)c1
InChIInChI=1S/C11H10ClIN2/c12-10-4-2-1-3-9(10)5-6-15-7-11(13)14-8-15/h1-4,7-8H,5-6H2
InChIKeyXJBATQBAULGVOG-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole

1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole (PubChem CID 86703963) has the molecular formula C11H10ClIN2 and a molecular weight of 332.57 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole
PubChem CID86703963
Molecular FormulaC11H10ClIN2
Molecular Weight332.57 g/mol
Exact Mass331.96
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole
SMILESClc1ccccc1CCn1cnc(I)c1
InChIInChI=1S/C11H10ClIN2/c12-10-4-2-1-3-9(10)5-6-15-7-11(13)14-8-15/h1-4,7-8H,5-6H2
InChIKeyXJBATQBAULGVOG-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.38
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-(2-chlorophenyl)ethyl]-4-iodoimidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole (CID 86703963) is 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole is Clc1ccccc1CCn1cnc(I)c1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole?
The InChIKey is XJBATQBAULGVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2/c12-10-4-2-1-3-9(10)5-6-15-7-11(13)14-8-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole?
1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole has a molecular weight of 332.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-4-iodoimidazole is sourced from PubChem (CID 86703963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).