5-(bromomethyl)-4-chloro-1-ethylimidazole

C6H8BrClN2 — CID 59589449

IUPAC5-(bromomethyl)-4-chloro-1-ethylimidazole
SMILESCCn1cnc(Cl)c1CBr
InChIInChI=1S/C6H8BrClN2/c1-2-10-4-9-6(8)5(10)3-7/h4H,2-3H2,1H3
InChIKeyNSEUNHLKCXFBQG-UHFFFAOYSA-N
MW223.50 g/mol
LogP2.45
Rot. Bonds2

About 5-(bromomethyl)-4-chloro-1-ethylimidazole

5-(bromomethyl)-4-chloro-1-ethylimidazole (PubChem CID 59589449) has the molecular formula C6H8BrClN2 and a molecular weight of 223.50 g/mol. Its IUPAC name is 5-(bromomethyl)-4-chloro-1-ethylimidazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-chloro-1-ethylimidazole
PubChem CID59589449
Molecular FormulaC6H8BrClN2
Molecular Weight223.50 g/mol
Exact Mass221.96
IUPAC Name5-(bromomethyl)-4-chloro-1-ethylimidazole
SMILESCCn1cnc(Cl)c1CBr
InChIInChI=1S/C6H8BrClN2/c1-2-10-4-9-6(8)5(10)3-7/h4H,2-3H2,1H3
InChIKeyNSEUNHLKCXFBQG-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.50
LogP ≤ 52.45
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 5-(bromomethyl)-4-chloro-1-ethylimidazole?
The IUPAC name of 5-(bromomethyl)-4-chloro-1-ethylimidazole (CID 59589449) is 5-(bromomethyl)-4-chloro-1-ethylimidazole.
What is the SMILES notation for 5-(bromomethyl)-4-chloro-1-ethylimidazole?
The canonical SMILES for 5-(bromomethyl)-4-chloro-1-ethylimidazole is CCn1cnc(Cl)c1CBr.
What is the InChIKey of 5-(bromomethyl)-4-chloro-1-ethylimidazole?
The InChIKey is NSEUNHLKCXFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrClN2/c1-2-10-4-9-6(8)5(10)3-7/h4H,2-3H2,1H3.
What are the key properties of 5-(bromomethyl)-4-chloro-1-ethylimidazole?
5-(bromomethyl)-4-chloro-1-ethylimidazole has a molecular weight of 223.50 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-chloro-1-ethylimidazole is sourced from PubChem (CID 59589449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).