[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine

C11H13BrN4 — CID 104811795

IUPAC[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1Cc1cncc(Br)c1
InChIInChI=1S/C11H13BrN4/c1-8-15-6-11(3-13)16(8)7-9-2-10(12)5-14-4-9/h2,4-6H,3,7,13H2,1H3
InChIKeyORSQHJLPEJHUTB-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.86
Rot. Bonds3

About [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine

[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine (PubChem CID 104811795) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
PubChem CID104811795
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1Cc1cncc(Br)c1
InChIInChI=1S/C11H13BrN4/c1-8-15-6-11(3-13)16(8)7-9-2-10(12)5-14-4-9/h2,4-6H,3,7,13H2,1H3
InChIKeyORSQHJLPEJHUTB-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 103050362
3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine
CID 104811386
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359542
1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 115582513
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
5-amino-3-[(5-bromo-3-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104797220

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine (CID 104811795) is [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine is Cc1ncc(CN)n1Cc1cncc(Br)c1.
What is the InChIKey of [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine?
The InChIKey is ORSQHJLPEJHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-15-6-11(3-13)16(8)7-9-2-10(12)5-14-4-9/h2,4-6H,3,7,13H2,1H3.
What are the key properties of [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine?
[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine has a molecular weight of 281.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 104811795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).