6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol

C14H20N2O3S — CID 167970288

IUPAC6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
SMILESO=S(=O)(CCCCCCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N2O3S/c17-9-5-1-2-6-10-20(18,19)11-14-15-12-7-3-4-8-13(12)16-14/h3-4,7-8,17H,1-2,5-6,9-11H2,(H,15,16)
InChIKeyWNBFRBDSZLJYTM-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds8

About 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol

6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol (PubChem CID 167970288) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
PubChem CID167970288
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
SMILESO=S(=O)(CCCCCCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N2O3S/c17-9-5-1-2-6-10-20(18,19)11-14-15-12-7-3-4-8-13(12)16-14/h3-4,7-8,17H,1-2,5-6,9-11H2,(H,15,16)
InChIKeyWNBFRBDSZLJYTM-UHFFFAOYSA-N
XLogP2.03
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol?
The IUPAC name of 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol (CID 167970288) is 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol?
The canonical SMILES for 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol is O=S(=O)(CCCCCCO)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol?
The InChIKey is WNBFRBDSZLJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-9-5-1-2-6-10-20(18,19)11-14-15-12-7-3-4-8-13(12)16-14/h3-4,7-8,17H,1-2,5-6,9-11H2,(H,15,16).
What are the key properties of 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol?
6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol has a molecular weight of 296.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol is sourced from PubChem (CID 167970288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).