2,5-dimethyl-1-phenylimidazole;hydroiodide

C11H13IN2 — CID 175442270

IUPAC2,5-dimethyl-1-phenylimidazole;hydroiodide
SMILESCc1cnc(C)n1-c1ccccc1.I
InChIInChI=1S/C11H12N2.HI/c1-9-8-12-10(2)13(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H
InChIKeySHVJTFJALPNWHY-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.11
Rot. Bonds1

About 2,5-dimethyl-1-phenylimidazole;hydroiodide

2,5-dimethyl-1-phenylimidazole;hydroiodide (PubChem CID 175442270) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenylimidazole;hydroiodide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenylimidazole;hydroiodide
PubChem CID175442270
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC Name2,5-dimethyl-1-phenylimidazole;hydroiodide
SMILESCc1cnc(C)n1-c1ccccc1.I
InChIInChI=1S/C11H12N2.HI/c1-9-8-12-10(2)13(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H
InChIKeySHVJTFJALPNWHY-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.11
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 2,5-dimethyl-1-phenylimidazole;hydroiodide?
The IUPAC name of 2,5-dimethyl-1-phenylimidazole;hydroiodide (CID 175442270) is 2,5-dimethyl-1-phenylimidazole;hydroiodide.
What is the SMILES notation for 2,5-dimethyl-1-phenylimidazole;hydroiodide?
The canonical SMILES for 2,5-dimethyl-1-phenylimidazole;hydroiodide is Cc1cnc(C)n1-c1ccccc1.I.
What is the InChIKey of 2,5-dimethyl-1-phenylimidazole;hydroiodide?
The InChIKey is SHVJTFJALPNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.HI/c1-9-8-12-10(2)13(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H.
What are the key properties of 2,5-dimethyl-1-phenylimidazole;hydroiodide?
2,5-dimethyl-1-phenylimidazole;hydroiodide has a molecular weight of 300.14 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenylimidazole;hydroiodide is sourced from PubChem (CID 175442270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).