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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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).