2-ethyl-1H-imidazole;dihydroiodide

C5H10I2N2 — CID 175121589

IUPAC2-ethyl-1H-imidazole;dihydroiodide
SMILESCCc1ncc[nH]1.I.I
InChIInChI=1S/C5H8N2.2HI/c1-2-5-6-3-4-7-5;;/h3-4H,2H2,1H3,(H,6,7);2*1H
InChIKeyPUPHJCSAVAUIGD-UHFFFAOYSA-N
MW351.96 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-1H-imidazole;dihydroiodide

2-ethyl-1H-imidazole;dihydroiodide (PubChem CID 175121589) has the molecular formula C5H10I2N2 and a molecular weight of 351.96 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole;dihydroiodide.

Molecular Properties

Compound Name2-ethyl-1H-imidazole;dihydroiodide
PubChem CID175121589
Molecular FormulaC5H10I2N2
Molecular Weight351.96 g/mol
Exact Mass351.89
IUPAC Name2-ethyl-1H-imidazole;dihydroiodide
SMILESCCc1ncc[nH]1.I.I
InChIInChI=1S/C5H8N2.2HI/c1-2-5-6-3-4-7-5;;/h3-4H,2H2,1H3,(H,6,7);2*1H
InChIKeyPUPHJCSAVAUIGD-UHFFFAOYSA-N
XLogP2.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.96
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-1H-imidazole;dihydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;methanol
CID 176573862
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole;dihydroiodide?
The IUPAC name of 2-ethyl-1H-imidazole;dihydroiodide (CID 175121589) is 2-ethyl-1H-imidazole;dihydroiodide.
What is the SMILES notation for 2-ethyl-1H-imidazole;dihydroiodide?
The canonical SMILES for 2-ethyl-1H-imidazole;dihydroiodide is CCc1ncc[nH]1.I.I.
What is the InChIKey of 2-ethyl-1H-imidazole;dihydroiodide?
The InChIKey is PUPHJCSAVAUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2HI/c1-2-5-6-3-4-7-5;;/h3-4H,2H2,1H3,(H,6,7);2*1H.
What are the key properties of 2-ethyl-1H-imidazole;dihydroiodide?
2-ethyl-1H-imidazole;dihydroiodide has a molecular weight of 351.96 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole;dihydroiodide is sourced from PubChem (CID 175121589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).