1-[(4-iodophenyl)methyl]imidazole

C10H9IN2 — CID 15984072

IUPAC1-[(4-iodophenyl)methyl]imidazole
SMILESIc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyWZKZRSOWLZKJCL-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.54
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]imidazole

1-[(4-iodophenyl)methyl]imidazole (PubChem CID 15984072) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]imidazole
PubChem CID15984072
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name1-[(4-iodophenyl)methyl]imidazole
SMILESIc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyWZKZRSOWLZKJCL-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.54
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-[(4-iodophenyl)methyl]imidazole?
The IUPAC name of 1-[(4-iodophenyl)methyl]imidazole (CID 15984072) is 1-[(4-iodophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]imidazole?
The canonical SMILES for 1-[(4-iodophenyl)methyl]imidazole is Ic1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]imidazole?
The InChIKey is WZKZRSOWLZKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2.
What are the key properties of 1-[(4-iodophenyl)methyl]imidazole?
1-[(4-iodophenyl)methyl]imidazole has a molecular weight of 284.10 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]imidazole is sourced from PubChem (CID 15984072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).