2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine

C12H13Br2N3 — CID 114704943

IUPAC2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3/c1-12(2,15)11-6-16-7-17(11)10-5-8(13)3-4-9(10)14/h3-7H,15H2,1-2H3
InChIKeyGYYOZLIGTVSFAG-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.59
Rot. Bonds2

About 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine

2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114704943) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
PubChem CID114704943
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3/c1-12(2,15)11-6-16-7-17(11)10-5-8(13)3-4-9(10)14/h3-7H,15H2,1-2H3
InChIKeyGYYOZLIGTVSFAG-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
CID 114707634
2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine (CID 114704943) is 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1-c1cc(Br)ccc1Br.
What is the InChIKey of 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is GYYOZLIGTVSFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-12(2,15)11-6-16-7-17(11)10-5-8(13)3-4-9(10)14/h3-7H,15H2,1-2H3.
What are the key properties of 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine?
2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 359.07 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114704943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).