(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine

C12H14BrN3 — CID 104942294

IUPAC(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(Br)cc1-n1cncc1[C@H](C)N
InChIInChI=1S/C12H14BrN3/c1-8-3-4-10(13)5-11(8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyKAYDIOKVGRIKPS-VIFPVBQESA-N
MW280.17 g/mol
LogP2.96
Rot. Bonds2

About (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine (PubChem CID 104942294) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
PubChem CID104942294
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(Br)cc1-n1cncc1[C@H](C)N
InChIInChI=1S/C12H14BrN3/c1-8-3-4-10(13)5-11(8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyKAYDIOKVGRIKPS-VIFPVBQESA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine (CID 104942294) is (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine is Cc1ccc(Br)cc1-n1cncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is KAYDIOKVGRIKPS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-3-4-10(13)5-11(8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).