3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol

C13H8F2N2O2 — CID 136928229

IUPAC3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1O
InChIInChI=1S/C13H8F2N2O2/c14-7-4-9-10(5-8(7)15)17-13(16-9)6-2-1-3-11(18)12(6)19/h1-5,18-19H,(H,16,17)
InChIKeySLKNMHNZSXKDSZ-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.92
Rot. Bonds1

About 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol

3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136928229) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.21 g/mol. Its IUPAC name is 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
PubChem CID136928229
Molecular FormulaC13H8F2N2O2
Molecular Weight262.21 g/mol
Exact Mass262.06
IUPAC Name3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1O
InChIInChI=1S/C13H8F2N2O2/c14-7-4-9-10(5-8(7)15)17-13(16-9)6-2-1-3-11(18)12(6)19/h1-5,18-19H,(H,16,17)
InChIKeySLKNMHNZSXKDSZ-UHFFFAOYSA-N
XLogP2.92
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.92
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

2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 136928276
5-(5,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557785
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol (CID 136928229) is 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol is Oc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1O.
What is the InChIKey of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is SLKNMHNZSXKDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c14-7-4-9-10(5-8(7)15)17-13(16-9)6-2-1-3-11(18)12(6)19/h1-5,18-19H,(H,16,17).
What are the key properties of 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol?
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol has a molecular weight of 262.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136928229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).