8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol

C15H22N2OS — CID 22675439

IUPAC8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
SMILESOCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N2OS/c18-11-7-3-1-2-4-8-12-19-15-16-13-9-5-6-10-14(13)17-15/h5-6,9-10,18H,1-4,7-8,11-12H2,(H,16,17)
InChIKeyKMZHDOVIBBQGJN-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.99
Rot. Bonds9

About 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol

8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol (PubChem CID 22675439) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
PubChem CID22675439
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
SMILESOCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H22N2OS/c18-11-7-3-1-2-4-8-12-19-15-16-13-9-5-6-10-14(13)17-15/h5-6,9-10,18H,1-4,7-8,11-12H2,(H,16,17)
InChIKeyKMZHDOVIBBQGJN-UHFFFAOYSA-N
XLogP3.99
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.99
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

2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
CID 46784599
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
CID 54965649
4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide
CID 5351691

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol?
The IUPAC name of 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol (CID 22675439) is 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol?
The canonical SMILES for 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol is OCCCCCCCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol?
The InChIKey is KMZHDOVIBBQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-11-7-3-1-2-4-8-12-19-15-16-13-9-5-6-10-14(13)17-15/h5-6,9-10,18H,1-4,7-8,11-12H2,(H,16,17).
What are the key properties of 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol?
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol is sourced from PubChem (CID 22675439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).