2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid

C12H10Br2N2O2S — CID 29063655

IUPAC2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid
SMILESCc1cc(Br)c(-n2ccnc2SCC(=O)O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O2S/c1-7-4-8(13)11(9(14)5-7)16-3-2-15-12(16)19-6-10(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyOLAASKXKJFUDPM-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.88
Rot. Bonds4

About 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid

2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 29063655) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID29063655
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid
SMILESCc1cc(Br)c(-n2ccnc2SCC(=O)O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O2S/c1-7-4-8(13)11(9(14)5-7)16-3-2-15-12(16)19-6-10(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyOLAASKXKJFUDPM-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063379
2-[1-(2,6-dibromo-4-methylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336771
2-[1-(4-bromo-3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 107575719
2-[1-(2-bromo-5-chlorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81279832
2-[1-(3,5-dimethoxyphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063465
2-[5-methyl-1-(2,4,6-tribromophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81337115
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
2-[1-(3-chloro-5-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107367987
2-[1-(2-chloro-4-iodophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107607136
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid (CID 29063655) is 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid is Cc1cc(Br)c(-n2ccnc2SCC(=O)O)c(Br)c1.
What is the InChIKey of 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is OLAASKXKJFUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c1-7-4-8(13)11(9(14)5-7)16-3-2-15-12(16)19-6-10(17)18/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 406.10 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 29063655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).