4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol

C13H9ClN2O2 — CID 136903772

IUPAC4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(O)c1
InChIInChI=1S/C13H9ClN2O2/c14-9-2-1-3-10-12(9)16-13(15-10)8-5-4-7(17)6-11(8)18/h1-6,17-18H,(H,15,16)
InChIKeyVURCESKNIGLKGX-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.29
Rot. Bonds1

About 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol

4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136903772) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID136903772
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(O)c1
InChIInChI=1S/C13H9ClN2O2/c14-9-2-1-3-10-12(9)16-13(15-10)8-5-4-7(17)6-11(8)18/h1-6,17-18H,(H,15,16)
InChIKeyVURCESKNIGLKGX-UHFFFAOYSA-N
XLogP3.29
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol (CID 136903772) is 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc3c(Cl)cccc3[nH]2)c(O)c1.
What is the InChIKey of 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is VURCESKNIGLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-9-2-1-3-10-12(9)16-13(15-10)8-5-4-7(17)6-11(8)18/h1-6,17-18H,(H,15,16).
What are the key properties of 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol?
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 260.68 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136903772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).