1-methyl-3-propyl-2H-imidazole;hydroiodide

C7H15IN2 — CID 67338438

IUPAC1-methyl-3-propyl-2H-imidazole;hydroiodide
SMILESCCCN1C=CN(C)C1.I
InChIInChI=1S/C7H14N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyWIEPCLKFQFHUPU-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-3-propyl-2H-imidazole;hydroiodide

1-methyl-3-propyl-2H-imidazole;hydroiodide (PubChem CID 67338438) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-methyl-3-propyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-methyl-3-propyl-2H-imidazole;hydroiodide
PubChem CID67338438
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name1-methyl-3-propyl-2H-imidazole;hydroiodide
SMILESCCCN1C=CN(C)C1.I
InChIInChI=1S/C7H14N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyWIEPCLKFQFHUPU-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.69
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-methyl-3-propyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-methyl-3-propyl-2H-imidazole;hydroiodide (CID 67338438) is 1-methyl-3-propyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-methyl-3-propyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-methyl-3-propyl-2H-imidazole;hydroiodide is CCCN1C=CN(C)C1.I.
What is the InChIKey of 1-methyl-3-propyl-2H-imidazole;hydroiodide?
The InChIKey is WIEPCLKFQFHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-methyl-3-propyl-2H-imidazole;hydroiodide?
1-methyl-3-propyl-2H-imidazole;hydroiodide has a molecular weight of 254.11 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 67338438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).