1-(4-iodophenyl)-3-phenyl-2H-imidazole

C15H13IN2 — CID 69494729

IUPAC1-(4-iodophenyl)-3-phenyl-2H-imidazole
SMILESIc1ccc(N2C=CN(c3ccccc3)C2)cc1
InChIInChI=1S/C15H13IN2/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyNSLFHMHTBABSHL-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-iodophenyl)-3-phenyl-2H-imidazole

1-(4-iodophenyl)-3-phenyl-2H-imidazole (PubChem CID 69494729) has the molecular formula C15H13IN2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-phenyl-2H-imidazole
PubChem CID69494729
Molecular FormulaC15H13IN2
Molecular Weight348.19 g/mol
Exact Mass348.01
IUPAC Name1-(4-iodophenyl)-3-phenyl-2H-imidazole
SMILESIc1ccc(N2C=CN(c3ccccc3)C2)cc1
InChIInChI=1S/C15H13IN2/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyNSLFHMHTBABSHL-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.05
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)-3-phenyl-2H-imidazole?
The IUPAC name of 1-(4-iodophenyl)-3-phenyl-2H-imidazole (CID 69494729) is 1-(4-iodophenyl)-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-(4-iodophenyl)-3-phenyl-2H-imidazole?
The canonical SMILES for 1-(4-iodophenyl)-3-phenyl-2H-imidazole is Ic1ccc(N2C=CN(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-phenyl-2H-imidazole?
The InChIKey is NSLFHMHTBABSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 1-(4-iodophenyl)-3-phenyl-2H-imidazole?
1-(4-iodophenyl)-3-phenyl-2H-imidazole has a molecular weight of 348.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-phenyl-2H-imidazole is sourced from PubChem (CID 69494729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).