2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol

C13H9FN2O2 — CID 136959757

IUPAC2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3c(O)cccc3F)[nH]c2c1
InChIInChI=1S/C13H9FN2O2/c14-8-2-1-3-11(18)12(8)13-15-9-5-4-7(17)6-10(9)16-13/h1-6,17-18H,(H,15,16)
InChIKeySLBFJGTYIFFSBB-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.78
Rot. Bonds1

About 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol

2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol (PubChem CID 136959757) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
PubChem CID136959757
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3c(O)cccc3F)[nH]c2c1
InChIInChI=1S/C13H9FN2O2/c14-8-2-1-3-11(18)12(8)13-15-9-5-4-7(17)6-10(9)16-13/h1-6,17-18H,(H,15,16)
InChIKeySLBFJGTYIFFSBB-UHFFFAOYSA-N
XLogP2.78
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136813316
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
3-fluoro-2-(7H-purin-8-yl)phenol
CID 136959758
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol (CID 136959757) is 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol is Oc1ccc2nc(-c3c(O)cccc3F)[nH]c2c1.
What is the InChIKey of 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol?
The InChIKey is SLBFJGTYIFFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-8-2-1-3-11(18)12(8)13-15-9-5-4-7(17)6-10(9)16-13/h1-6,17-18H,(H,15,16).
What are the key properties of 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol?
2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol has a molecular weight of 244.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 136959757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).