5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride

C8H7Br2ClN2S — CID 24848624

IUPAC5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1csc(Cc2cnc[nH]2)c1Br.Cl
InChIInChI=1S/C8H6Br2N2S.ClH/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5;/h2-4H,1H2,(H,11,12);1H
InChIKeyXNMBACTYPDPZEE-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.01
Rot. Bonds2

About 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride

5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (PubChem CID 24848624) has the molecular formula C8H7Br2ClN2S and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
PubChem CID24848624
Molecular FormulaC8H7Br2ClN2S
Molecular Weight358.49 g/mol
Exact Mass355.84
IUPAC Name5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1csc(Cc2cnc[nH]2)c1Br.Cl
InChIInChI=1S/C8H6Br2N2S.ClH/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5;/h2-4H,1H2,(H,11,12);1H
InChIKeyXNMBACTYPDPZEE-UHFFFAOYSA-N
XLogP4.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (CID 24848624) is 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is Brc1csc(Cc2cnc[nH]2)c1Br.Cl.
What is the InChIKey of 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is XNMBACTYPDPZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2S.ClH/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5;/h2-4H,1H2,(H,11,12);1H.
What are the key properties of 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride has a molecular weight of 358.49 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 24848624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).