1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol

C13H18N2O2S — CID 173250102

IUPAC1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol
SMILESCCCCCC(O)S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N2O2S/c1-2-3-4-9-12(16)18(17)13-14-10-7-5-6-8-11(10)15-13/h5-8,12,16H,2-4,9H2,1H3,(H,14,15)
InChIKeyDBUSLBQFFDONPJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.57
Rot. Bonds6

About 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol

1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol (PubChem CID 173250102) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol
PubChem CID173250102
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol
SMILESCCCCCC(O)S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N2O2S/c1-2-3-4-9-12(16)18(17)13-14-10-7-5-6-8-11(10)15-13/h5-8,12,16H,2-4,9H2,1H3,(H,14,15)
InChIKeyDBUSLBQFFDONPJ-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol?
The IUPAC name of 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol (CID 173250102) is 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol is CCCCCC(O)S(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol?
The InChIKey is DBUSLBQFFDONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-3-4-9-12(16)18(17)13-14-10-7-5-6-8-11(10)15-13/h5-8,12,16H,2-4,9H2,1H3,(H,14,15).
What are the key properties of 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol?
1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol is sourced from PubChem (CID 173250102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).