2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol

C21H20N2O2S — CID 575539

IUPAC2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(SCCOc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C21H20N2O2S/c24-12-11-23-20-8-4-3-7-19(20)22-21(23)26-14-13-25-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,24H,11-14H2
InChIKeyWQVPOBSKWGFFCW-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol

2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol (PubChem CID 575539) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
PubChem CID575539
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(SCCOc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C21H20N2O2S/c24-12-11-23-20-8-4-3-7-19(20)22-21(23)26-14-13-25-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,24H,11-14H2
InChIKeyWQVPOBSKWGFFCW-UHFFFAOYSA-N
XLogP4.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]acetate
CID 91046876
3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propane-1,2-diol
CID 2772502
3-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoate
CID 7030279
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
3-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2772727
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
3-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2856865
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 21369635
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 23613754
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
2-[2-(3-methylphenoxy)ethylsulfanyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 23613732
2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol (CID 575539) is 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol is OCCn1c(SCCOc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol?
The InChIKey is WQVPOBSKWGFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-12-11-23-20-8-4-3-7-19(20)22-21(23)26-14-13-25-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,24H,11-14H2.
What are the key properties of 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol?
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol has a molecular weight of 364.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 575539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).