4-(benzimidazol-1-ylsulfanyl)butan-1-ol

C11H14N2OS — CID 57260170

IUPAC4-(benzimidazol-1-ylsulfanyl)butan-1-ol
SMILESOCCCCSn1cnc2ccccc21
InChIInChI=1S/C11H14N2OS/c14-7-3-4-8-15-13-9-12-10-5-1-2-6-11(10)13/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyWPYIHJYGSMEECI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds5

About 4-(benzimidazol-1-ylsulfanyl)butan-1-ol

4-(benzimidazol-1-ylsulfanyl)butan-1-ol (PubChem CID 57260170) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name4-(benzimidazol-1-ylsulfanyl)butan-1-ol
PubChem CID57260170
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-(benzimidazol-1-ylsulfanyl)butan-1-ol
SMILESOCCCCSn1cnc2ccccc21
InChIInChI=1S/C11H14N2OS/c14-7-3-4-8-15-13-9-12-10-5-1-2-6-11(10)13/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyWPYIHJYGSMEECI-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
CID 121222107
1-benzylsulfanylbenzimidazole
CID 22394082
1-prop-2-enylsulfanylbenzimidazole
CID 67218633
1-phenylsulfanylbenzimidazole
CID 13096820
1-(prop-2-enyldisulfanyl)benzimidazole
CID 87577952
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
1-(4-methylphenyl)sulfanylbenzimidazole
CID 174957197
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
1-hydroxybenzimidazole;hydrate
CID 22048229
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
benzimidazol-1-yloxyboronic acid
CID 160806314

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylsulfanyl)butan-1-ol?
The IUPAC name of 4-(benzimidazol-1-ylsulfanyl)butan-1-ol (CID 57260170) is 4-(benzimidazol-1-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 4-(benzimidazol-1-ylsulfanyl)butan-1-ol?
The canonical SMILES for 4-(benzimidazol-1-ylsulfanyl)butan-1-ol is OCCCCSn1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-ylsulfanyl)butan-1-ol?
The InChIKey is WPYIHJYGSMEECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-7-3-4-8-15-13-9-12-10-5-1-2-6-11(10)13/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of 4-(benzimidazol-1-ylsulfanyl)butan-1-ol?
4-(benzimidazol-1-ylsulfanyl)butan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 57260170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).