2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol

C16H16N2OS — CID 675063

IUPAC2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2OS/c19-11-10-18-15-9-5-4-8-14(15)17-16(18)20-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyZQZXXGJXOCOPQX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.32
Rot. Bonds5

About 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol

2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol (PubChem CID 675063) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
PubChem CID675063
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2OS/c19-11-10-18-15-9-5-4-8-14(15)17-16(18)20-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyZQZXXGJXOCOPQX-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol
CID 4782224
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
2-[2-[(3-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70688381
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
CID 575539
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol (CID 675063) is 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol is OCCn1c(SCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol?
The InChIKey is ZQZXXGJXOCOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-11-10-18-15-9-5-4-8-14(15)17-16(18)20-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2.
What are the key properties of 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol?
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol has a molecular weight of 284.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 675063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).