5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride

C8H8BrClN2S — CID 19961015

IUPAC5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1csc(Cc2cnc[nH]2)c1.Cl
InChIInChI=1S/C8H7BrN2S.ClH/c9-6-1-8(12-4-6)2-7-3-10-5-11-7;/h1,3-5H,2H2,(H,10,11);1H
InChIKeyQANSZURCNUYTNN-UHFFFAOYSA-N
MW279.59 g/mol
LogP3.25
Rot. Bonds2

About 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride

5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (PubChem CID 19961015) has the molecular formula C8H8BrClN2S and a molecular weight of 279.59 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
PubChem CID19961015
Molecular FormulaC8H8BrClN2S
Molecular Weight279.59 g/mol
Exact Mass277.93
IUPAC Name5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1csc(Cc2cnc[nH]2)c1.Cl
InChIInChI=1S/C8H7BrN2S.ClH/c9-6-1-8(12-4-6)2-7-3-10-5-11-7;/h1,3-5H,2H2,(H,10,11);1H
InChIKeyQANSZURCNUYTNN-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (CID 19961015) is 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is Brc1csc(Cc2cnc[nH]2)c1.Cl.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is QANSZURCNUYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S.ClH/c9-6-1-8(12-4-6)2-7-3-10-5-11-7;/h1,3-5H,2H2,(H,10,11);1H.
What are the key properties of 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride has a molecular weight of 279.59 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 19961015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).