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

C8H8BrClN2S — CID 19961016

IUPAC5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1ccsc1Cc1cnc[nH]1.Cl
InChIInChI=1S/C8H7BrN2S.ClH/c9-7-1-2-12-8(7)3-6-4-10-5-11-6;/h1-2,4-5H,3H2,(H,10,11);1H
InChIKeyCYCSRYMQDJPPPP-UHFFFAOYSA-N
MW279.59 g/mol
LogP3.25
Rot. Bonds2

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

5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (PubChem CID 19961016) has the molecular formula C8H8BrClN2S and a molecular weight of 279.59 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
PubChem CID19961016
Molecular FormulaC8H8BrClN2S
Molecular Weight279.59 g/mol
Exact Mass277.93
IUPAC Name5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESBrc1ccsc1Cc1cnc[nH]1.Cl
InChIInChI=1S/C8H7BrN2S.ClH/c9-7-1-2-12-8(7)3-6-4-10-5-11-6;/h1-2,4-5H,3H2,(H,10,11);1H
InChIKeyCYCSRYMQDJPPPP-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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Related Compounds

4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
4-[1-(3-Bromo-thiophen-2-yl)-ethyl]-1H-imidazole
CID 10706270
5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
CID 19961018
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961031
4-[(thiophen-2-yl)methyl]-1H-imidazole hydrochloride
CID 49861211
5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 24848624
6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
5-[(4-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961015

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride (CID 19961016) is 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is Brc1ccsc1Cc1cnc[nH]1.Cl.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is CYCSRYMQDJPPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S.ClH/c9-7-1-2-12-8(7)3-6-4-10-5-11-6;/h1-2,4-5H,3H2,(H,10,11);1H.
What are the key properties of 5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
5-[(3-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-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 19961016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).