2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol

C14H11FN2OS — CID 84617402

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(SCc3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C14H11FN2OS/c15-10-3-1-2-9(6-10)8-19-14-16-12-5-4-11(18)7-13(12)17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyQBQQBDHWTUBFAM-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.70
Rot. Bonds3

About 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol

2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol (PubChem CID 84617402) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
PubChem CID84617402
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(SCc3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C14H11FN2OS/c15-10-3-1-2-9(6-10)8-19-14-16-12-5-4-11(18)7-13(12)17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyQBQQBDHWTUBFAM-UHFFFAOYSA-N
XLogP3.70
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[(3-fluorophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46216616
2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
CID 84617405
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
CID 139812499
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617391
3-[(6-bromo-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 17246572
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 23739518
2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol (CID 84617402) is 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol is Oc1ccc2nc(SCc3cccc(F)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol?
The InChIKey is QBQQBDHWTUBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-10-3-1-2-9(6-10)8-19-14-16-12-5-4-11(18)7-13(12)17-14/h1-7,18H,8H2,(H,16,17).
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol?
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol has a molecular weight of 274.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 84617402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).