1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone

C14H12N2O2S — CID 104651931

IUPAC1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2nc3ccc(C)cc3[nH]2)o1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-10-11(7-8)16-14(15-10)19-13-6-5-12(18-13)9(2)17/h3-7H,1-2H3,(H,15,16)
InChIKeyJDYFJYKGWVOYKT-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.82
Rot. Bonds3

About 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone

1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone (PubChem CID 104651931) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
PubChem CID104651931
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2nc3ccc(C)cc3[nH]2)o1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-10-11(7-8)16-14(15-10)19-13-6-5-12(18-13)9(2)17/h3-7H,1-2H3,(H,15,16)
InChIKeyJDYFJYKGWVOYKT-UHFFFAOYSA-N
XLogP3.82
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
5-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 62874243
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
5-(1H-benzimidazol-2-ylsulfanyl)-N-phenylfuran-2-carboxamide
CID 121395569
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone (CID 104651931) is 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone is CC(=O)c1ccc(Sc2nc3ccc(C)cc3[nH]2)o1.
What is the InChIKey of 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone?
The InChIKey is JDYFJYKGWVOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-3-4-10-11(7-8)16-14(15-10)19-13-6-5-12(18-13)9(2)17/h3-7H,1-2H3,(H,15,16).
What are the key properties of 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone?
1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone has a molecular weight of 272.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone is sourced from PubChem (CID 104651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).