2-iodo-4,5-dihydro-1H-imidazole

C3H5IN2 — CID 14627583

IUPAC2-iodo-4,5-dihydro-1H-imidazole
SMILESIC1=NCCN1
InChIInChI=1S/C3H5IN2/c4-3-5-1-2-6-3/h1-2H2,(H,5,6)
InChIKeyCKZRQMLOXWILGI-UHFFFAOYSA-N
MW195.99 g/mol
LogP0.38
Rot. Bonds

About 2-iodo-4,5-dihydro-1H-imidazole

2-iodo-4,5-dihydro-1H-imidazole (PubChem CID 14627583) has the molecular formula C3H5IN2 and a molecular weight of 195.99 g/mol. Its IUPAC name is 2-iodo-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-iodo-4,5-dihydro-1H-imidazole
PubChem CID14627583
Molecular FormulaC3H5IN2
Molecular Weight195.99 g/mol
Exact Mass195.95
IUPAC Name2-iodo-4,5-dihydro-1H-imidazole
SMILESIC1=NCCN1
InChIInChI=1S/C3H5IN2/c4-3-5-1-2-6-3/h1-2H2,(H,5,6)
InChIKeyCKZRQMLOXWILGI-UHFFFAOYSA-N
XLogP0.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
2-methyl-4,5-dihydro-1H-imidazole
CID 10798
2-(iodomethoxy)-4,5-dihydro-1H-imidazole
CID 135291548
2-nitroso-4,5-dihydro-1H-imidazole
CID 57057923
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
CID 19882735
2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
CID 143157442
4,5-dihydro-1H-imidazole-2-carboxamide
CID 1382042
methane;2-methylpropane;2-propan-2-yl-4,5-dihydro-1H-imidazole
CID 159534289
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
CID 172744713
2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole
CID 102382815
2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 70301959
benzene;2-cyclopropyl-4,5-dihydro-1H-imidazole
CID 145110900

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-iodo-4,5-dihydro-1H-imidazole (CID 14627583) is 2-iodo-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-iodo-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-iodo-4,5-dihydro-1H-imidazole is IC1=NCCN1.
What is the InChIKey of 2-iodo-4,5-dihydro-1H-imidazole?
The InChIKey is CKZRQMLOXWILGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN2/c4-3-5-1-2-6-3/h1-2H2,(H,5,6).
What are the key properties of 2-iodo-4,5-dihydro-1H-imidazole?
2-iodo-4,5-dihydro-1H-imidazole has a molecular weight of 195.99 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14627583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).