2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine

C8H14BrN3 — CID 116835015

IUPAC2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(Br)[nH]1
InChIInChI=1S/C8H14BrN3/c1-5(2)6(3-10)8-11-4-7(9)12-8/h4-6H,3,10H2,1-2H3,(H,11,12)
InChIKeyIDJPRMZXSLJAHI-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.87
Rot. Bonds3

About 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine

2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 116835015) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
PubChem CID116835015
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(Br)[nH]1
InChIInChI=1S/C8H14BrN3/c1-5(2)6(3-10)8-11-4-7(9)12-8/h4-6H,3,10H2,1-2H3,(H,11,12)
InChIKeyIDJPRMZXSLJAHI-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine (CID 116835015) is 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1ncc(Br)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is IDJPRMZXSLJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-5(2)6(3-10)8-11-4-7(9)12-8/h4-6H,3,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine?
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116835015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).