1-phenyl-4,5-dihydroimidazole;hydroiodide

C9H11IN2 — CID 51062680

IUPAC1-phenyl-4,5-dihydroimidazole;hydroiodide
SMILESC1=NCCN1c1ccccc1.I
InChIInChI=1S/C9H10N2.HI/c1-2-4-9(5-3-1)11-7-6-10-8-11;/h1-5,8H,6-7H2;1H
InChIKeyYZDKOHIAUBGXFY-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.15
Rot. Bonds1

About 1-phenyl-4,5-dihydroimidazole;hydroiodide

1-phenyl-4,5-dihydroimidazole;hydroiodide (PubChem CID 51062680) has the molecular formula C9H11IN2 and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydroimidazole;hydroiodide.

Molecular Properties

Compound Name1-phenyl-4,5-dihydroimidazole;hydroiodide
PubChem CID51062680
Molecular FormulaC9H11IN2
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name1-phenyl-4,5-dihydroimidazole;hydroiodide
SMILESC1=NCCN1c1ccccc1.I
InChIInChI=1S/C9H10N2.HI/c1-2-4-9(5-3-1)11-7-6-10-8-11;/h1-5,8H,6-7H2;1H
InChIKeyYZDKOHIAUBGXFY-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.15
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-phenyl-4,5-dihydroimidazole;hydroiodide?
The IUPAC name of 1-phenyl-4,5-dihydroimidazole;hydroiodide (CID 51062680) is 1-phenyl-4,5-dihydroimidazole;hydroiodide.
What is the SMILES notation for 1-phenyl-4,5-dihydroimidazole;hydroiodide?
The canonical SMILES for 1-phenyl-4,5-dihydroimidazole;hydroiodide is C1=NCCN1c1ccccc1.I.
What is the InChIKey of 1-phenyl-4,5-dihydroimidazole;hydroiodide?
The InChIKey is YZDKOHIAUBGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.HI/c1-2-4-9(5-3-1)11-7-6-10-8-11;/h1-5,8H,6-7H2;1H.
What are the key properties of 1-phenyl-4,5-dihydroimidazole;hydroiodide?
1-phenyl-4,5-dihydroimidazole;hydroiodide has a molecular weight of 274.10 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-dihydroimidazole;hydroiodide is sourced from PubChem (CID 51062680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).