5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride

C9H10BrClN2S — CID 19961018

IUPAC5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
SMILESCC(c1cnc[nH]1)c1sccc1Br.Cl
InChIInChI=1S/C9H9BrN2S.ClH/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9;/h2-6H,1H3,(H,11,12);1H
InChIKeySMDFDWZAFOHPEC-UHFFFAOYSA-N
MW293.62 g/mol
LogP3.81
Rot. Bonds2

About 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride

5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride (PubChem CID 19961018) has the molecular formula C9H10BrClN2S and a molecular weight of 293.62 g/mol. Its IUPAC name is 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
PubChem CID19961018
Molecular FormulaC9H10BrClN2S
Molecular Weight293.62 g/mol
Exact Mass291.94
IUPAC Name5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
SMILESCC(c1cnc[nH]1)c1sccc1Br.Cl
InChIInChI=1S/C9H9BrN2S.ClH/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9;/h2-6H,1H3,(H,11,12);1H
InChIKeySMDFDWZAFOHPEC-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride (CID 19961018) is 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride is CC(c1cnc[nH]1)c1sccc1Br.Cl.
What is the InChIKey of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The InChIKey is SMDFDWZAFOHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S.ClH/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9;/h2-6H,1H3,(H,11,12);1H.
What are the key properties of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride has a molecular weight of 293.62 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 19961018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).