1-(2-chloroethyl)imidazole;hydrochloride

C5H8Cl2N2 — CID 2757503

IUPAC1-(2-chloroethyl)imidazole;hydrochloride
SMILESCl.ClCCn1ccnc1
InChIInChI=1S/C5H7ClN2.ClH/c6-1-3-8-4-2-7-5-8;/h2,4-5H,1,3H2;1H
InChIKeyLXILQBZVZYRMND-UHFFFAOYSA-N
MW167.04 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-chloroethyl)imidazole;hydrochloride

1-(2-chloroethyl)imidazole;hydrochloride (PubChem CID 2757503) has the molecular formula C5H8Cl2N2 and a molecular weight of 167.04 g/mol. Its IUPAC name is 1-(2-chloroethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)imidazole;hydrochloride
PubChem CID2757503
Molecular FormulaC5H8Cl2N2
Molecular Weight167.04 g/mol
Exact Mass166.01
IUPAC Name1-(2-chloroethyl)imidazole;hydrochloride
SMILESCl.ClCCn1ccnc1
InChIInChI=1S/C5H7ClN2.ClH/c6-1-3-8-4-2-7-5-8;/h2,4-5H,1,3H2;1H
InChIKeyLXILQBZVZYRMND-UHFFFAOYSA-N
XLogP1.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.04
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)imidazole;hydrochloride?
The IUPAC name of 1-(2-chloroethyl)imidazole;hydrochloride (CID 2757503) is 1-(2-chloroethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)imidazole;hydrochloride?
The canonical SMILES for 1-(2-chloroethyl)imidazole;hydrochloride is Cl.ClCCn1ccnc1.
What is the InChIKey of 1-(2-chloroethyl)imidazole;hydrochloride?
The InChIKey is LXILQBZVZYRMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2.ClH/c6-1-3-8-4-2-7-5-8;/h2,4-5H,1,3H2;1H.
What are the key properties of 1-(2-chloroethyl)imidazole;hydrochloride?
1-(2-chloroethyl)imidazole;hydrochloride has a molecular weight of 167.04 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)imidazole;hydrochloride is sourced from PubChem (CID 2757503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).