2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid

C8H4BrClN2O2S — CID 102844260

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Br)c(Cl)s2)[nH]1
InChIInChI=1S/C8H4BrClN2O2S/c9-3-1-5(15-6(3)10)7-11-2-4(12-7)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyWCRWPLKTYJPWPA-UHFFFAOYSA-N
MW307.56 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid

2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 102844260) has the molecular formula C8H4BrClN2O2S and a molecular weight of 307.56 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID102844260
Molecular FormulaC8H4BrClN2O2S
Molecular Weight307.56 g/mol
Exact Mass305.89
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Br)c(Cl)s2)[nH]1
InChIInChI=1S/C8H4BrClN2O2S/c9-3-1-5(15-6(3)10)7-11-2-4(12-7)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyWCRWPLKTYJPWPA-UHFFFAOYSA-N
XLogP3.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 107125453
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
5-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136683080
2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136683039
1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
CID 130502056
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 96605840
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506
2-(4-bromo-5-chlorothiophen-2-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136683089
2-(4-bromo-5-chlorothiophen-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964601
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-(4-bromo-5-chlorothiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136683061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid (CID 102844260) is 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2cc(Br)c(Cl)s2)[nH]1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is WCRWPLKTYJPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O2S/c9-3-1-5(15-6(3)10)7-11-2-4(12-7)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid?
2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 307.56 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 102844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).