2-(iodomethoxy)-4,5-dihydro-1H-imidazole

C4H7IN2O — CID 135291548

IUPAC2-(iodomethoxy)-4,5-dihydro-1H-imidazole
SMILESICOC1=NCCN1
InChIInChI=1S/C4H7IN2O/c5-3-8-4-6-1-2-7-4/h1-3H2,(H,6,7)
InChIKeyHSJJDAHGJYOHBY-UHFFFAOYSA-N
MW226.02 g/mol
LogP0.35
Rot. Bonds1

About 2-(iodomethoxy)-4,5-dihydro-1H-imidazole

2-(iodomethoxy)-4,5-dihydro-1H-imidazole (PubChem CID 135291548) has the molecular formula C4H7IN2O and a molecular weight of 226.02 g/mol. Its IUPAC name is 2-(iodomethoxy)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(iodomethoxy)-4,5-dihydro-1H-imidazole
PubChem CID135291548
Molecular FormulaC4H7IN2O
Molecular Weight226.02 g/mol
Exact Mass225.96
IUPAC Name2-(iodomethoxy)-4,5-dihydro-1H-imidazole
SMILESICOC1=NCCN1
InChIInChI=1S/C4H7IN2O/c5-3-8-4-6-1-2-7-4/h1-3H2,(H,6,7)
InChIKeyHSJJDAHGJYOHBY-UHFFFAOYSA-N
XLogP0.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,4,5,6-tetrahydropyrimidine
CID 22076682
2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole
CID 123146737
2-[(2-cyclopropylphenyl)methoxy]-4,5-dihydro-1H-imidazole
CID 45487957
2-iodo-4,5-dihydro-1H-imidazole
CID 14627583
(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(4,5-dihydro-1H-imidazol-2-yloxy)propan-2-amine
CID 59849474
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
1,4,5,6-tetrahydropyrimidin-2-yl propanoate
CID 54446219
2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
CID 20529064
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
CID 173419263
2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole
CID 102382815

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethoxy)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(iodomethoxy)-4,5-dihydro-1H-imidazole (CID 135291548) is 2-(iodomethoxy)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(iodomethoxy)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(iodomethoxy)-4,5-dihydro-1H-imidazole is ICOC1=NCCN1.
What is the InChIKey of 2-(iodomethoxy)-4,5-dihydro-1H-imidazole?
The InChIKey is HSJJDAHGJYOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O/c5-3-8-4-6-1-2-7-4/h1-3H2,(H,6,7).
What are the key properties of 2-(iodomethoxy)-4,5-dihydro-1H-imidazole?
2-(iodomethoxy)-4,5-dihydro-1H-imidazole has a molecular weight of 226.02 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethoxy)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 135291548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).