1-iodo-4,5-dihydroimidazole

C3H5IN2 — CID 57092540

IUPAC1-iodo-4,5-dihydroimidazole
SMILESIN1C=NCC1
InChIInChI=1S/C3H5IN2/c4-6-2-1-5-3-6/h3H,1-2H2
InChIKeyRVLLKVRWDKJILE-UHFFFAOYSA-N
MW195.99 g/mol
LogP0.68
Rot. Bonds

About 1-iodo-4,5-dihydroimidazole

1-iodo-4,5-dihydroimidazole (PubChem CID 57092540) has the molecular formula C3H5IN2 and a molecular weight of 195.99 g/mol. Its IUPAC name is 1-iodo-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-iodo-4,5-dihydroimidazole
PubChem CID57092540
Molecular FormulaC3H5IN2
Molecular Weight195.99 g/mol
Exact Mass195.95
IUPAC Name1-iodo-4,5-dihydroimidazole
SMILESIN1C=NCC1
InChIInChI=1S/C3H5IN2/c4-6-2-1-5-3-6/h3H,1-2H2
InChIKeyRVLLKVRWDKJILE-UHFFFAOYSA-N
XLogP0.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluoro imidazoline
CID 18356385
Thioimidazoline
CID 18182394
4,5-Dihydroimidazol-1-ylphosphane
CID 18356395
2-Imidazolinecarbonitrile
CID 19933486
Imidazoline bromide
CID 88867978
1-Methylidene-4,5-dihydroimidazol-1-ium
CID 91425446
1,1-Difluoro-4,5-dihydroimidazol-1-ium
CID 90273063
Imidazolinyl silane
CID 57081935
4,5-Dihydroimidazol-3-ide
CID 17958029
1-Chloro-4,5-dihydroimidazole;hydrochloride
CID 20451876
1-Chloro-4,5-dihydroimidazole
CID 20451877
CID 53627683
CID 53627683

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4,5-dihydroimidazole?
The IUPAC name of 1-iodo-4,5-dihydroimidazole (CID 57092540) is 1-iodo-4,5-dihydroimidazole.
What is the SMILES notation for 1-iodo-4,5-dihydroimidazole?
The canonical SMILES for 1-iodo-4,5-dihydroimidazole is IN1C=NCC1.
What is the InChIKey of 1-iodo-4,5-dihydroimidazole?
The InChIKey is RVLLKVRWDKJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN2/c4-6-2-1-5-3-6/h3H,1-2H2.
What are the key properties of 1-iodo-4,5-dihydroimidazole?
1-iodo-4,5-dihydroimidazole has a molecular weight of 195.99 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4,5-dihydroimidazole is sourced from PubChem (CID 57092540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).