5-(chloromethyl)-1-ethylimidazole;hydrochloride

C6H10Cl2N2 — CID 22938740

IUPAC5-(chloromethyl)-1-ethylimidazole;hydrochloride
SMILESCCn1cncc1CCl.Cl
InChIInChI=1S/C6H9ClN2.ClH/c1-2-9-5-8-4-6(9)3-7;/h4-5H,2-3H2,1H3;1H
InChIKeyYULMDKKFZSITMP-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.06
Rot. Bonds2

About 5-(chloromethyl)-1-ethylimidazole;hydrochloride

5-(chloromethyl)-1-ethylimidazole;hydrochloride (PubChem CID 22938740) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethylimidazole;hydrochloride
PubChem CID22938740
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Name5-(chloromethyl)-1-ethylimidazole;hydrochloride
SMILESCCn1cncc1CCl.Cl
InChIInChI=1S/C6H9ClN2.ClH/c1-2-9-5-8-4-6(9)3-7;/h4-5H,2-3H2,1H3;1H
InChIKeyYULMDKKFZSITMP-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.06
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

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
4-(Chloromethyl)-1H-imidazole hydrochloride
CID 217324
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
4-(Chloromethyl)-1h-imidazole
CID 217325
Imidazole, 1-(2-chloroethyl)-5-methyl-2-nitro-
CID 90179
1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
Imidazole, 1-(2-chloroethyl)-5-ethyl-2-nitro-
CID 90180
2-Bromo-1,5-dimethyl-1H-imidazole
CID 7204876
2-Bromo-1,4-dimethyl-1H-imidazole
CID 7204877

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethylimidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-ethylimidazole;hydrochloride (CID 22938740) is 5-(chloromethyl)-1-ethylimidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-ethylimidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-ethylimidazole;hydrochloride is CCn1cncc1CCl.Cl.
What is the InChIKey of 5-(chloromethyl)-1-ethylimidazole;hydrochloride?
The InChIKey is YULMDKKFZSITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2.ClH/c1-2-9-5-8-4-6(9)3-7;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-1-ethylimidazole;hydrochloride?
5-(chloromethyl)-1-ethylimidazole;hydrochloride has a molecular weight of 181.07 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethylimidazole;hydrochloride is sourced from PubChem (CID 22938740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).