1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine

C13H17BrN4 — CID 114223411

IUPAC1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-9(2)3-12(15)13-7-17-8-18(13)11-4-10(14)5-16-6-11/h4-9,12H,3,15H2,1-2H3
InChIKeyUKFPOXAGGSRSHY-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.08
Rot. Bonds4

About 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114223411) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114223411
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-9(2)3-12(15)13-7-17-8-18(13)11-4-10(14)5-16-6-11/h4-9,12H,3,15H2,1-2H3
InChIKeyUKFPOXAGGSRSHY-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114223411) is 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1-c1cncc(Br)c1.
What is the InChIKey of 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is UKFPOXAGGSRSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)3-12(15)13-7-17-8-18(13)11-4-10(14)5-16-6-11/h4-9,12H,3,15H2,1-2H3.
What are the key properties of 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114223411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).