2-(1-benzylbenzimidazol-2-yl)sulfanylethanol

C16H16N2OS — CID 2772467

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanylethanol
SMILESOCCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2OS/c19-10-11-20-16-17-14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyZLJZZZUBYFDDGE-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.17
Rot. Bonds5

About 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol

2-(1-benzylbenzimidazol-2-yl)sulfanylethanol (PubChem CID 2772467) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanylethanol
PubChem CID2772467
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanylethanol
SMILESOCCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2OS/c19-10-11-20-16-17-14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyZLJZZZUBYFDDGE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-1H-benzimidazole
CID 563347
1-Benzyl-2-phenylbenzimidazole
CID 1221687
3,4-Dihydro-2H-(1,3)thiazino(3,2-a)benzimidazol-3-ol
CID 380631
1-Benzyl-2-methylbenzimidazole
CID 759305
3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid
CID 776881
3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol
CID 2872475
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1-benzyl-1H-benzimidazole-2-sulfonic acid
CID 2772580
(1-(2,5-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)methanol
CID 962431
3-(1-Phenyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
CID 614520
1-(1-benzyl-1H-benzimidazol-2-yl)ethanol
CID 2859396

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol (CID 2772467) is 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol is OCCSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol?
The InChIKey is ZLJZZZUBYFDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-10-11-20-16-17-14-8-4-5-9-15(14)18(16)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol?
2-(1-benzylbenzimidazol-2-yl)sulfanylethanol has a molecular weight of 284.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanylethanol is sourced from PubChem (CID 2772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).