2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine

C11H11BrClN3 — CID 103482103

IUPAC2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3/c12-11-9(13)2-1-3-10(11)16-7-15-6-8(16)4-5-14/h1-3,6-7H,4-5,14H2
InChIKeyUZOFSEPCIURADE-UHFFFAOYSA-N
MW300.59 g/mol
LogP2.79
Rot. Bonds3

About 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine

2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 103482103) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID103482103
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3/c12-11-9(13)2-1-3-10(11)16-7-15-6-8(16)4-5-14/h1-3,6-7H,4-5,14H2
InChIKeyUZOFSEPCIURADE-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114721649
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine (CID 103482103) is 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine is NCCc1cncn1-c1cccc(Cl)c1Br.
What is the InChIKey of 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is UZOFSEPCIURADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c12-11-9(13)2-1-3-10(11)16-7-15-6-8(16)4-5-14/h1-3,6-7H,4-5,14H2.
What are the key properties of 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine?
2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 300.59 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 103482103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).