2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone

C15H14N2OS2 — CID 45035283

IUPAC2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1cc2nc(SCC(=O)c3cccs3)[nH]c2cc1C
InChIInChI=1S/C15H14N2OS2/c1-9-6-11-12(7-10(9)2)17-15(16-11)20-8-13(18)14-4-3-5-19-14/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyLZTWGNWJYVXJKL-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.22
Rot. Bonds4

About 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone

2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 45035283) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
PubChem CID45035283
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1cc2nc(SCC(=O)c3cccs3)[nH]c2cc1C
InChIInChI=1S/C15H14N2OS2/c1-9-6-11-12(7-10(9)2)17-15(16-11)20-8-13(18)14-4-3-5-19-14/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyLZTWGNWJYVXJKL-UHFFFAOYSA-N
XLogP4.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
5-butyl-4-hydroxy-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 17308915
butyl 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetate
CID 2311538
N-[(E)-benzylideneamino]-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 15576724
N'-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 5134152
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
1-S,4-S-bis(5,6-dimethyl-1H-benzimidazol-2-yl) butanebis(thioate)
CID 88663314
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone (CID 45035283) is 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone is Cc1cc2nc(SCC(=O)c3cccs3)[nH]c2cc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is LZTWGNWJYVXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-9-6-11-12(7-10(9)2)17-15(16-11)20-8-13(18)14-4-3-5-19-14/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone?
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 45035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).