2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine

C11H13BrN4 — CID 114703974

IUPAC2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-11(2,13)9-6-14-7-16(9)10-4-3-8(12)5-15-10/h3-7H,13H2,1-2H3
InChIKeyRSDYYZAFXLBEDV-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.22
Rot. Bonds2

About 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine

2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine (PubChem CID 114703974) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
PubChem CID114703974
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-11(2,13)9-6-14-7-16(9)10-4-3-8(12)5-15-10/h3-7H,13H2,1-2H3
InChIKeyRSDYYZAFXLBEDV-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
CID 114704943
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444003
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
CID 114707634
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
CID 83222873
4-(5-bromo-2-pyridinyl)-2-methyl-1,2,4-triazol-3-one
CID 23438500
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62952242
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine (CID 114703974) is 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1-c1ccc(Br)cn1.
What is the InChIKey of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine?
The InChIKey is RSDYYZAFXLBEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-11(2,13)9-6-14-7-16(9)10-4-3-8(12)5-15-10/h3-7H,13H2,1-2H3.
What are the key properties of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine?
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114703974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).