1-ethyl-2-(iodomethyl)imidazole

C6H9IN2 — CID 64786618

IUPAC1-ethyl-2-(iodomethyl)imidazole
SMILESCCn1ccnc1CI
InChIInChI=1S/C6H9IN2/c1-2-9-4-3-8-6(9)5-7/h3-4H,2,5H2,1H3
InChIKeyVREXTKQSRAORKE-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.84
Rot. Bonds2

About 1-ethyl-2-(iodomethyl)imidazole

1-ethyl-2-(iodomethyl)imidazole (PubChem CID 64786618) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-ethyl-2-(iodomethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-(iodomethyl)imidazole
PubChem CID64786618
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name1-ethyl-2-(iodomethyl)imidazole
SMILESCCn1ccnc1CI
InChIInChI=1S/C6H9IN2/c1-2-9-4-3-8-6(9)5-7/h3-4H,2,5H2,1H3
InChIKeyVREXTKQSRAORKE-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
(1-ethylimidazol-2-yl)-trimethylsilane
CID 45118403
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
2-(3-bromobutyl)-1-ethylimidazole
CID 64509820
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(iodomethyl)imidazole?
The IUPAC name of 1-ethyl-2-(iodomethyl)imidazole (CID 64786618) is 1-ethyl-2-(iodomethyl)imidazole.
What is the SMILES notation for 1-ethyl-2-(iodomethyl)imidazole?
The canonical SMILES for 1-ethyl-2-(iodomethyl)imidazole is CCn1ccnc1CI.
What is the InChIKey of 1-ethyl-2-(iodomethyl)imidazole?
The InChIKey is VREXTKQSRAORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-2-9-4-3-8-6(9)5-7/h3-4H,2,5H2,1H3.
What are the key properties of 1-ethyl-2-(iodomethyl)imidazole?
1-ethyl-2-(iodomethyl)imidazole has a molecular weight of 236.06 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(iodomethyl)imidazole is sourced from PubChem (CID 64786618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).