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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol
CID 137216868
4-bromo-2-(1H-imidazol-2-yl)phenol
CID 135471340
2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
CID 125475669
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole
CID 69362168
2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
CID 172992579
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579

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).