2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol

C9H6Br2N2O2 — CID 136822159

IUPAC2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1c(Br)cc(-c2ncc[nH]2)c(O)c1Br
InChIInChI=1S/C9H6Br2N2O2/c10-5-3-4(9-12-1-2-13-9)7(14)6(11)8(5)15/h1-3,14-15H,(H,12,13)
InChIKeyAMGIECSWJVTPDQ-UHFFFAOYSA-N
MW333.97 g/mol
LogP3.01
Rot. Bonds1

About 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol

2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol (PubChem CID 136822159) has the molecular formula C9H6Br2N2O2 and a molecular weight of 333.97 g/mol. Its IUPAC name is 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol
PubChem CID136822159
Molecular FormulaC9H6Br2N2O2
Molecular Weight333.97 g/mol
Exact Mass331.88
IUPAC Name2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1c(Br)cc(-c2ncc[nH]2)c(O)c1Br
InChIInChI=1S/C9H6Br2N2O2/c10-5-3-4(9-12-1-2-13-9)7(14)6(11)8(5)15/h1-3,14-15H,(H,12,13)
InChIKeyAMGIECSWJVTPDQ-UHFFFAOYSA-N
XLogP3.01
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol (CID 136822159) is 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol is Oc1c(Br)cc(-c2ncc[nH]2)c(O)c1Br.
What is the InChIKey of 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol?
The InChIKey is AMGIECSWJVTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O2/c10-5-3-4(9-12-1-2-13-9)7(14)6(11)8(5)15/h1-3,14-15H,(H,12,13).
What are the key properties of 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol?
2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol has a molecular weight of 333.97 g/mol, XLogP of 3.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136822159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).