2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone

C15H12N2O3S — CID 748009

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N2O3S/c18-9-5-6-10(13(19)7-9)14(20)8-21-15-16-11-3-1-2-4-12(11)17-15/h1-7,18-19H,8H2,(H,16,17)
InChIKeyNWXOFLKNPKHRLV-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.95
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 748009) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID748009
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N2O3S/c18-9-5-6-10(13(19)7-9)14(20)8-21-15-16-11-3-1-2-4-12(11)17-15/h1-7,18-19H,8H2,(H,16,17)
InChIKeyNWXOFLKNPKHRLV-UHFFFAOYSA-N
XLogP2.95
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (CID 748009) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1O.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is NWXOFLKNPKHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-9-5-6-10(13(19)7-9)14(20)8-21-15-16-11-3-1-2-4-12(11)17-15/h1-7,18-19H,8H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 300.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 748009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).