1-(2-chloroethyl)-2-ethylimidazole

C7H11ClN2 — CID 25219063

IUPAC1-(2-chloroethyl)-2-ethylimidazole
SMILESCCc1nccn1CCCl
InChIInChI=1S/C7H11ClN2/c1-2-7-9-4-6-10(7)5-3-8/h4,6H,2-3,5H2,1H3
InChIKeyOMKBYTGSVLBARA-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-chloroethyl)-2-ethylimidazole

1-(2-chloroethyl)-2-ethylimidazole (PubChem CID 25219063) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-ethylimidazole.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-ethylimidazole
PubChem CID25219063
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name1-(2-chloroethyl)-2-ethylimidazole
SMILESCCc1nccn1CCCl
InChIInChI=1S/C7H11ClN2/c1-2-7-9-4-6-10(7)5-3-8/h4,6H,2-3,5H2,1H3
InChIKeyOMKBYTGSVLBARA-UHFFFAOYSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2-ethylimidazole?
The IUPAC name of 1-(2-chloroethyl)-2-ethylimidazole (CID 25219063) is 1-(2-chloroethyl)-2-ethylimidazole.
What is the SMILES notation for 1-(2-chloroethyl)-2-ethylimidazole?
The canonical SMILES for 1-(2-chloroethyl)-2-ethylimidazole is CCc1nccn1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-2-ethylimidazole?
The InChIKey is OMKBYTGSVLBARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-2-7-9-4-6-10(7)5-3-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(2-chloroethyl)-2-ethylimidazole?
1-(2-chloroethyl)-2-ethylimidazole has a molecular weight of 158.63 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-ethylimidazole is sourced from PubChem (CID 25219063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).