2-(1H-benzimidazol-2-yl)-6-fluorophenol

C13H9FN2O — CID 168553450

IUPAC2-(1H-benzimidazol-2-yl)-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9FN2O/c14-9-5-3-4-8(12(9)17)13-15-10-6-1-2-7-11(10)16-13/h1-7,17H,(H,15,16)
InChIKeyLCHSFNMDIACWRR-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.07
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-6-fluorophenol

2-(1H-benzimidazol-2-yl)-6-fluorophenol (PubChem CID 168553450) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-fluorophenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-fluorophenol
PubChem CID168553450
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-(1H-benzimidazol-2-yl)-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9FN2O/c14-9-5-3-4-8(12(9)17)13-15-10-6-1-2-7-11(10)16-13/h1-7,17H,(H,15,16)
InChIKeyLCHSFNMDIACWRR-UHFFFAOYSA-N
XLogP3.07
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-fluorophenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-fluorophenol (CID 168553450) is 2-(1H-benzimidazol-2-yl)-6-fluorophenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-fluorophenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-fluorophenol is Oc1c(F)cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-fluorophenol?
The InChIKey is LCHSFNMDIACWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-9-5-3-4-8(12(9)17)13-15-10-6-1-2-7-11(10)16-13/h1-7,17H,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-fluorophenol?
2-(1H-benzimidazol-2-yl)-6-fluorophenol has a molecular weight of 228.23 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-fluorophenol is sourced from PubChem (CID 168553450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).