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

C10H9BrClN3 — CID 114706823

IUPAC[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyZGBHXPANBXBPJL-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.75
Rot. Bonds2

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

[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine (PubChem CID 114706823) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
PubChem CID114706823
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2
InChIKeyZGBHXPANBXBPJL-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444285
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
CID 103482103
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114721409
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670
1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
CID 130482355
4-[5-(aminomethyl)imidazol-1-yl]phenol
CID 84662013
[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine (CID 114706823) is [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine is NCc1cncn1-c1ccc(Cl)cc1Br.
What is the InChIKey of [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine?
The InChIKey is ZGBHXPANBXBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-9-3-7(12)1-2-10(9)15-6-14-5-8(15)4-13/h1-3,5-6H,4,13H2.
What are the key properties of [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine?
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine has a molecular weight of 286.56 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114706823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).