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

C9H9BrN2S — CID 10706270

IUPAC5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole
SMILESCC(c1cnc[nH]1)c1sccc1Br
InChIInChI=1S/C9H9BrN2S/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9/h2-6H,1H3,(H,11,12)
InChIKeyMBIMDSGVRHCXJK-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.39
Rot. Bonds2

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

5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole (PubChem CID 10706270) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole
PubChem CID10706270
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole
SMILESCC(c1cnc[nH]1)c1sccc1Br
InChIInChI=1S/C9H9BrN2S/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9/h2-6H,1H3,(H,11,12)
InChIKeyMBIMDSGVRHCXJK-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.39
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?
The IUPAC name of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole (CID 10706270) is 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole is CC(c1cnc[nH]1)c1sccc1Br.
What is the InChIKey of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole?
The InChIKey is MBIMDSGVRHCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9/h2-6H,1H3,(H,11,12).
What are the key properties of 5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole?
5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole has a molecular weight of 257.16 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 10706270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).