2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol

C10H11FN2OS — CID 84617418

IUPAC2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
SMILESCC(F)CSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H11FN2OS/c1-6(11)5-15-10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5H2,1H3,(H,12,13)
InChIKeyOXTNXKKEECJQFW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol

2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol (PubChem CID 84617418) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
PubChem CID84617418
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
SMILESCC(F)CSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H11FN2OS/c1-6(11)5-15-10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5H2,1H3,(H,12,13)
InChIKeyOXTNXKKEECJQFW-UHFFFAOYSA-N
XLogP2.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
CID 84617405
2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617391
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol (CID 84617418) is 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol is CC(F)CSc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol?
The InChIKey is OXTNXKKEECJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-6(11)5-15-10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol?
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol has a molecular weight of 226.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 84617418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).