1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

C12H13BrClN3 — CID 43805254

IUPAC1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H13BrClN3/c1-15-11(7-12-16-4-5-17-12)9-3-2-8(13)6-10(9)14/h2-6,11,15H,7H2,1H3,(H,16,17)
InChIKeyVKXVEYTWGAUPNQ-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 43805254) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID43805254
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H13BrClN3/c1-15-11(7-12-16-4-5-17-12)9-3-2-8(13)6-10(9)14/h2-6,11,15H,7H2,1H3,(H,16,17)
InChIKeyVKXVEYTWGAUPNQ-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine 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

1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81110287
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104998333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 43805254) is 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is CNC(Cc1ncc[nH]1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is VKXVEYTWGAUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-15-11(7-12-16-4-5-17-12)9-3-2-8(13)6-10(9)14/h2-6,11,15H,7H2,1H3,(H,16,17).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 314.61 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 43805254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).