2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol

C16H16N2OS — CID 4918049

IUPAC2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
SMILESCSc1nc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-20-16-17-13-9-5-6-10-14(13)18(16)11-15(19)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3
InChIKeyVDHNCWGQQBYSRD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol

2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol (PubChem CID 4918049) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
PubChem CID4918049
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
SMILESCSc1nc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-20-16-17-13-9-5-6-10-14(13)18(16)11-15(19)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3
InChIKeyVDHNCWGQQBYSRD-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
CID 25486343
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-[1-(2-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 113466694
1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
CID 43531451
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol (CID 4918049) is 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol is CSc1nc2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol?
The InChIKey is VDHNCWGQQBYSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-20-16-17-13-9-5-6-10-14(13)18(16)11-15(19)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3.
What are the key properties of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol?
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol has a molecular weight of 284.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 4918049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).