N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine

C12H13BrClN3 — CID 114203932

IUPACN-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H13BrClN3/c1-2-15-6-10-7-17(8-16-10)12-4-3-9(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyCXGFEIZZQREPFY-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.40
Rot. Bonds4

About N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114203932) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114203932
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC NameN-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H13BrClN3/c1-2-15-6-10-7-17(8-16-10)12-4-3-9(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyCXGFEIZZQREPFY-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]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

N-[[1-(3-bromo-2-methylphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204569
N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204311
4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
CID 130482614
N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine
CID 114254472
4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
CID 84709540
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66206892
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine (CID 114203932) is N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2ccc(Br)cc2Cl)cn1.
What is the InChIKey of N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is CXGFEIZZQREPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-2-15-6-10-7-17(8-16-10)12-4-3-9(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3.
What are the key properties of N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 314.61 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114203932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).