5-(chloromethyl)-1-ethyl-2-methylimidazole

C7H11ClN2 — CID 130118504

IUPAC5-(chloromethyl)-1-ethyl-2-methylimidazole
SMILESCCn1c(CCl)cnc1C
InChIInChI=1S/C7H11ClN2/c1-3-10-6(2)9-5-7(10)4-8/h5H,3-4H2,1-2H3
InChIKeyJCSQMPYKVGMBKY-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.95
Rot. Bonds2

About 5-(chloromethyl)-1-ethyl-2-methylimidazole

5-(chloromethyl)-1-ethyl-2-methylimidazole (PubChem CID 130118504) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-2-methylimidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-2-methylimidazole
PubChem CID130118504
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-(chloromethyl)-1-ethyl-2-methylimidazole
SMILESCCn1c(CCl)cnc1C
InChIInChI=1S/C7H11ClN2/c1-3-10-6(2)9-5-7(10)4-8/h5H,3-4H2,1-2H3
InChIKeyJCSQMPYKVGMBKY-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-ethyl-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179
1-(3-ethyl-2-methylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192906
1-ethyl-5-(methoxymethyl)-2-methylimidazole
CID 117193127
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
CID 117193132
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83873436
5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride
CID 174393482
5-butyl-1-hexadecyl-2-methylimidazole
CID 158644637
1-butyl-5-chloro-2-methylimidazole
CID 123569144
(3-hexyl-2-methylimidazol-4-yl)methanamine
CID 65172812

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-2-methylimidazole?
The IUPAC name of 5-(chloromethyl)-1-ethyl-2-methylimidazole (CID 130118504) is 5-(chloromethyl)-1-ethyl-2-methylimidazole.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-2-methylimidazole?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-2-methylimidazole is CCn1c(CCl)cnc1C.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-2-methylimidazole?
The InChIKey is JCSQMPYKVGMBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-3-10-6(2)9-5-7(10)4-8/h5H,3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-2-methylimidazole?
5-(chloromethyl)-1-ethyl-2-methylimidazole has a molecular weight of 158.63 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-2-methylimidazole is sourced from PubChem (CID 130118504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).