1-methyl-2-prop-1-enylimidazole;hydroiodide

C7H11IN2 — CID 175574352

IUPAC1-methyl-2-prop-1-enylimidazole;hydroiodide
SMILESCC=Cc1nccn1C.I
InChIInChI=1S/C7H10N2.HI/c1-3-4-7-8-5-6-9(7)2;/h3-6H,1-2H3;1H
InChIKeyIGTNQUURDMUPCP-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.07
Rot. Bonds1

About 1-methyl-2-prop-1-enylimidazole;hydroiodide

1-methyl-2-prop-1-enylimidazole;hydroiodide (PubChem CID 175574352) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1-methyl-2-prop-1-enylimidazole;hydroiodide.

Molecular Properties

Compound Name1-methyl-2-prop-1-enylimidazole;hydroiodide
PubChem CID175574352
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1-methyl-2-prop-1-enylimidazole;hydroiodide
SMILESCC=Cc1nccn1C.I
InChIInChI=1S/C7H10N2.HI/c1-3-4-7-8-5-6-9(7)2;/h3-6H,1-2H3;1H
InChIKeyIGTNQUURDMUPCP-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-methyl-2-prop-1-enylimidazole;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-1-enylimidazole;hydroiodide?
The IUPAC name of 1-methyl-2-prop-1-enylimidazole;hydroiodide (CID 175574352) is 1-methyl-2-prop-1-enylimidazole;hydroiodide.
What is the SMILES notation for 1-methyl-2-prop-1-enylimidazole;hydroiodide?
The canonical SMILES for 1-methyl-2-prop-1-enylimidazole;hydroiodide is CC=Cc1nccn1C.I.
What is the InChIKey of 1-methyl-2-prop-1-enylimidazole;hydroiodide?
The InChIKey is IGTNQUURDMUPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.HI/c1-3-4-7-8-5-6-9(7)2;/h3-6H,1-2H3;1H.
What are the key properties of 1-methyl-2-prop-1-enylimidazole;hydroiodide?
1-methyl-2-prop-1-enylimidazole;hydroiodide has a molecular weight of 250.08 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-1-enylimidazole;hydroiodide is sourced from PubChem (CID 175574352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).