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

C13H9ClN2O2 — CID 136928259

IUPAC3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3c(Cl)cccc3[nH]2)c1O
InChIInChI=1S/C13H9ClN2O2/c14-8-4-2-5-9-11(8)16-13(15-9)7-3-1-6-10(17)12(7)18/h1-6,17-18H,(H,15,16)
InChIKeyWFYLOFGICOUBGV-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.29
Rot. Bonds1

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

3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136928259) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
PubChem CID136928259
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3c(Cl)cccc3[nH]2)c1O
InChIInChI=1S/C13H9ClN2O2/c14-8-4-2-5-9-11(8)16-13(15-9)7-3-1-6-10(17)12(7)18/h1-6,17-18H,(H,15,16)
InChIKeyWFYLOFGICOUBGV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63851002
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 136928276
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol (CID 136928259) is 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol is Oc1cccc(-c2nc3c(Cl)cccc3[nH]2)c1O.
What is the InChIKey of 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is WFYLOFGICOUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-8-4-2-5-9-11(8)16-13(15-9)7-3-1-6-10(17)12(7)18/h1-6,17-18H,(H,15,16).
What are the key properties of 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol?
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-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 3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136928259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).