1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole

C12H12BrClN2 — CID 107085938

IUPAC1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
SMILESCCc1nccn1-c1ccc(CBr)cc1Cl
InChIInChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)11-4-3-9(8-13)7-10(11)14/h3-7H,2,8H2,1H3
InChIKeyDJIJFWXAUREIRH-UHFFFAOYSA-N
MW299.60 g/mol
LogP3.98
Rot. Bonds3

About 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole

1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole (PubChem CID 107085938) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
PubChem CID107085938
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
SMILESCCc1nccn1-c1ccc(CBr)cc1Cl
InChIInChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)11-4-3-9(8-13)7-10(11)14/h3-7H,2,8H2,1H3
InChIKeyDJIJFWXAUREIRH-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 53.98
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-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637
1-[4-(bromomethyl)-2-chlorophenyl]-3,5-diethyl-1,2,4-triazole
CID 107086234
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
(E)-3-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 81154605
1-[4-(bromomethyl)-2-chlorophenyl]-4-ethylpiperazine
CID 107079595
2-[4-[4-(bromomethyl)-2-chlorophenyl]piperazin-1-yl]pyrimidine
CID 107079286
1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
CID 107085713
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole?
The IUPAC name of 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole (CID 107085938) is 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole.
What is the SMILES notation for 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole?
The canonical SMILES for 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole is CCc1nccn1-c1ccc(CBr)cc1Cl.
What is the InChIKey of 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole?
The InChIKey is DJIJFWXAUREIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)11-4-3-9(8-13)7-10(11)14/h3-7H,2,8H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole?
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole has a molecular weight of 299.60 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole is sourced from PubChem (CID 107085938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).