4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol

C13H8Br2N2O2 — CID 136781810

IUPAC4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
SMILESOc1c(Br)cc(-c2nc3ccccc3[nH]2)c(O)c1Br
InChIInChI=1S/C13H8Br2N2O2/c14-7-5-6(11(18)10(15)12(7)19)13-16-8-3-1-2-4-9(8)17-13/h1-5,18-19H,(H,16,17)
InChIKeyWQPQPZNUVZMJOJ-UHFFFAOYSA-N
MW384.03 g/mol
LogP4.17
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol

4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol (PubChem CID 136781810) has the molecular formula C13H8Br2N2O2 and a molecular weight of 384.03 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
PubChem CID136781810
Molecular FormulaC13H8Br2N2O2
Molecular Weight384.03 g/mol
Exact Mass381.90
IUPAC Name4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
SMILESOc1c(Br)cc(-c2nc3ccccc3[nH]2)c(O)c1Br
InChIInChI=1S/C13H8Br2N2O2/c14-7-5-6(11(18)10(15)12(7)19)13-16-8-3-1-2-4-9(8)17-13/h1-5,18-19H,(H,16,17)
InChIKeyWQPQPZNUVZMJOJ-UHFFFAOYSA-N
XLogP4.17
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.03
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
CID 139072906
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol (CID 136781810) is 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol is Oc1c(Br)cc(-c2nc3ccccc3[nH]2)c(O)c1Br.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol?
The InChIKey is WQPQPZNUVZMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O2/c14-7-5-6(11(18)10(15)12(7)19)13-16-8-3-1-2-4-9(8)17-13/h1-5,18-19H,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol?
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol has a molecular weight of 384.03 g/mol, XLogP of 4.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol is sourced from PubChem (CID 136781810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).