2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone

C15H12N2O2S — CID 677928

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)14(19)9-20-15-16-12-3-1-2-4-13(12)17-15/h1-8,18H,9H2,(H,16,17)
InChIKeyXQQFFTIURCUJEU-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.24
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone (PubChem CID 677928) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone
PubChem CID677928
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)14(19)9-20-15-16-12-3-1-2-4-13(12)17-15/h1-8,18H,9H2,(H,16,17)
InChIKeyXQQFFTIURCUJEU-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone (CID 677928) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone?
The InChIKey is XQQFFTIURCUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-11-7-5-10(6-8-11)14(19)9-20-15-16-12-3-1-2-4-13(12)17-15/h1-8,18H,9H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone has a molecular weight of 284.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 677928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).