2-(chloromethyl)-1-(ethoxymethyl)imidazole

C7H11ClN2O — CID 65369655

IUPAC2-(chloromethyl)-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1CCl
InChIInChI=1S/C7H11ClN2O/c1-2-11-6-10-4-3-9-7(10)5-8/h3-4H,2,5-6H2,1H3
InChIKeyKLKCHJADFUFTCS-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.62
Rot. Bonds4

About 2-(chloromethyl)-1-(ethoxymethyl)imidazole

2-(chloromethyl)-1-(ethoxymethyl)imidazole (PubChem CID 65369655) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(ethoxymethyl)imidazole
PubChem CID65369655
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-(chloromethyl)-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1CCl
InChIInChI=1S/C7H11ClN2O/c1-2-11-6-10-4-3-9-7(10)5-8/h3-4H,2,5-6H2,1H3
InChIKeyKLKCHJADFUFTCS-UHFFFAOYSA-N
XLogP1.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(methoxymethyl)imidazole
CID 14316830
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
tert-butyl-[1-(ethoxymethyl)imidazol-2-yl]-dimethylsilane
CID 67905657
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 22938673
2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol
CID 67806179
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
2-(2-methoxyethyl)-1-(methoxymethyl)imidazole
CID 155146920
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(ethoxymethyl)imidazole?
The IUPAC name of 2-(chloromethyl)-1-(ethoxymethyl)imidazole (CID 65369655) is 2-(chloromethyl)-1-(ethoxymethyl)imidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(ethoxymethyl)imidazole?
The canonical SMILES for 2-(chloromethyl)-1-(ethoxymethyl)imidazole is CCOCn1ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(ethoxymethyl)imidazole?
The InChIKey is KLKCHJADFUFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-2-11-6-10-4-3-9-7(10)5-8/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(ethoxymethyl)imidazole?
2-(chloromethyl)-1-(ethoxymethyl)imidazole has a molecular weight of 174.63 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(ethoxymethyl)imidazole is sourced from PubChem (CID 65369655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).