4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol

C13H8F2N2O — CID 135927902

IUPAC4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C13H8F2N2O/c14-9-5-11-12(6-10(9)15)17-13(16-11)7-1-3-8(18)4-2-7/h1-6,18H,(H,16,17)
InChIKeyIBDLZLOTYWMVLF-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.21
Rot. Bonds1

About 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol

4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol (PubChem CID 135927902) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
PubChem CID135927902
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C13H8F2N2O/c14-9-5-11-12(6-10(9)15)17-13(16-11)7-1-3-8(18)4-2-7/h1-6,18H,(H,16,17)
InChIKeyIBDLZLOTYWMVLF-UHFFFAOYSA-N
XLogP3.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
CID 60978770
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol (CID 135927902) is 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol is Oc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1.
What is the InChIKey of 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The InChIKey is IBDLZLOTYWMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-9-5-11-12(6-10(9)15)17-13(16-11)7-1-3-8(18)4-2-7/h1-6,18H,(H,16,17).
What are the key properties of 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol has a molecular weight of 246.22 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 135927902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).