1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine

C11H12BrN3 — CID 43649869

IUPAC1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H12BrN3/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3,(H,14,15)
InChIKeyCGVZCORNHMTCSE-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.86
Rot. Bonds2

About 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine

1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 43649869) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID43649869
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H12BrN3/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3,(H,14,15)
InChIKeyCGVZCORNHMTCSE-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3-bromophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232744
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
CID 116876598
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 119128377
N'-[3-[2-(1-aminoethyl)-1H-imidazol-5-yl]phenyl]thiophene-2-carboximidamide
CID 18443029
(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970539
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440809

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine (CID 43649869) is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine is CC(N)c1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is CGVZCORNHMTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine?
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43649869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).