2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine

C11H13BrN4 — CID 104803435

IUPAC2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ncc[nH]1
InChIInChI=1S/C11H13BrN4/c1-13-10(11-15-2-3-16-11)5-8-4-9(12)7-14-6-8/h2-4,6-7,10,13H,5H2,1H3,(H,15,16)
InChIKeyJMEIHHSBIOKKNZ-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.07
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine

2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 104803435) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID104803435
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ncc[nH]1
InChIInChI=1S/C11H13BrN4/c1-13-10(11-15-2-3-16-11)5-8-4-9(12)7-14-6-8/h2-4,6-7,10,13H,5H2,1H3,(H,15,16)
InChIKeyJMEIHHSBIOKKNZ-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
[2-(4-bromophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252268
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine (CID 104803435) is 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1ncc[nH]1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is JMEIHHSBIOKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-13-10(11-15-2-3-16-11)5-8-4-9(12)7-14-6-8/h2-4,6-7,10,13H,5H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine?
2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 281.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 104803435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).