3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol

C14H11FN2O3S — CID 136751588

IUPAC3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(O)cc3F)[nH]c2c1
InChIInChI=1S/C14H11FN2O3S/c1-21(19,20)9-3-5-12-13(7-9)17-14(16-12)10-4-2-8(18)6-11(10)15/h2-7,18H,1H3,(H,16,17)
InChIKeyZBLKHLWXHDJGEB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.48
Rot. Bonds2

About 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol

3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol (PubChem CID 136751588) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
PubChem CID136751588
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(O)cc3F)[nH]c2c1
InChIInChI=1S/C14H11FN2O3S/c1-21(19,20)9-3-5-12-13(7-9)17-14(16-12)10-4-2-8(18)6-11(10)15/h2-7,18H,1H3,(H,16,17)
InChIKeyZBLKHLWXHDJGEB-UHFFFAOYSA-N
XLogP2.48
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 75391029
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
4-iodo-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136885876
5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628
2-(3-chloro-2-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 81265420
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
CID 168553310
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-[4-[4-[3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenyl]cyclohexyl]acetaldehyde
CID 123304218
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068547

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol (CID 136751588) is 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol is CS(=O)(=O)c1ccc2nc(-c3ccc(O)cc3F)[nH]c2c1.
What is the InChIKey of 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is ZBLKHLWXHDJGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-21(19,20)9-3-5-12-13(7-9)17-14(16-12)10-4-2-8(18)6-11(10)15/h2-7,18H,1H3,(H,16,17).
What are the key properties of 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol?
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 306.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136751588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).