2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium

C5H10IN2+ — CID 20596621

IUPAC2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCN1CC[N+](C)=C1I
InChIInChI=1S/C5H10IN2/c1-7-3-4-8(2)5(7)6/h3-4H2,1-2H3/q+1
InChIKeyFAFXPJJRZDLSBI-UHFFFAOYSA-N
MW225.05 g/mol
LogP0.37
Rot. Bonds

About 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium

2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 20596621) has the molecular formula C5H10IN2+ and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium
PubChem CID20596621
Molecular FormulaC5H10IN2+
Molecular Weight225.05 g/mol
Exact Mass224.99
IUPAC Name2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCN1CC[N+](C)=C1I
InChIInChI=1S/C5H10IN2/c1-7-3-4-8(2)5(7)6/h3-4H2,1-2H3/q+1
InChIKeyFAFXPJJRZDLSBI-UHFFFAOYSA-N
XLogP0.37
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-1,3-dimethylimidazolinium
CID 4176750
2-Fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 2779127
Ethyl imidazoline
CID 485092
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1,3-Dimethyl-4,5-dihydroimidazol-1-ium
CID 20238538
1,1-Dimethyl-4,5-dihydroimidazol-1-ium
CID 21977283
1,3-Dimethyl-2-fluoroimidazolinium iodide
CID 2779131
1-Ethyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 14151189
1,3-Diethyl-4,5-dihydroimidazol-1-ium
CID 22044354
1,1-Dimethyl-4,5-dihydroimidazol-1-ium chloride
CID 22053582
1-Ethyl-1-methyl-4,5-dihydroimidazol-1-ium
CID 57008390
dimethylazanide;1-methyl-4,5-dihydro-2H-imidazol-2-ide;yttrium
CID 59876668

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium (CID 20596621) is 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium is CN1CC[N+](C)=C1I.
What is the InChIKey of 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is FAFXPJJRZDLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN2/c1-7-3-4-8(2)5(7)6/h3-4H2,1-2H3/q+1.
What are the key properties of 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 225.05 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-dimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 20596621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).