2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine

C12H12BrClFN3 — CID 84609508

IUPAC2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(-c2cc(Cl)ccc2F)c1Br
InChIInChI=1S/C12H12BrClFN3/c1-18-10(4-5-16)17-11(12(18)13)8-6-7(14)2-3-9(8)15/h2-3,6H,4-5,16H2,1H3
InChIKeyNQPLFVQSIQTJJT-UHFFFAOYSA-N
MW332.60 g/mol
LogP3.14
Rot. Bonds3

About 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine

2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine (PubChem CID 84609508) has the molecular formula C12H12BrClFN3 and a molecular weight of 332.60 g/mol. Its IUPAC name is 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
PubChem CID84609508
Molecular FormulaC12H12BrClFN3
Molecular Weight332.60 g/mol
Exact Mass330.99
IUPAC Name2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(-c2cc(Cl)ccc2F)c1Br
InChIInChI=1S/C12H12BrClFN3/c1-18-10(4-5-16)17-11(12(18)13)8-6-7(14)2-3-9(8)15/h2-3,6H,4-5,16H2,1H3
InChIKeyNQPLFVQSIQTJJT-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine 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

2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
CID 84609648
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609485
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361
5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 114859731
5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 114859722
5-(5-chloro-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
CID 114859651
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine (CID 84609508) is 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine is Cn1c(CCN)nc(-c2cc(Cl)ccc2F)c1Br.
What is the InChIKey of 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine?
The InChIKey is NQPLFVQSIQTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFN3/c1-18-10(4-5-16)17-11(12(18)13)8-6-7(14)2-3-9(8)15/h2-3,6H,4-5,16H2,1H3.
What are the key properties of 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine?
2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine has a molecular weight of 332.60 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 84609508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).