2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide

C14H18N2O2S — CID 104520297

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
SMILESCc1cc2nc(C3CCCCS3(=O)=O)[nH]c2cc1C
InChIInChI=1S/C14H18N2O2S/c1-9-7-11-12(8-10(9)2)16-14(15-11)13-5-3-4-6-19(13,17)18/h7-8,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyWJHJZUSJSNAOBL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.82
Rot. Bonds1

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide

2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide (PubChem CID 104520297) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
PubChem CID104520297
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
SMILESCc1cc2nc(C3CCCCS3(=O)=O)[nH]c2cc1C
InChIInChI=1S/C14H18N2O2S/c1-9-7-11-12(8-10(9)2)16-14(15-11)13-5-3-4-6-19(13,17)18/h7-8,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyWJHJZUSJSNAOBL-UHFFFAOYSA-N
XLogP2.82
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide (CID 104520297) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide is Cc1cc2nc(C3CCCCS3(=O)=O)[nH]c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide?
The InChIKey is WJHJZUSJSNAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-7-11-12(8-10(9)2)16-14(15-11)13-5-3-4-6-19(13,17)18/h7-8,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide has a molecular weight of 278.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 104520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).