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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Related Compounds

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520286
2-(6-ethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520336
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 64813916
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64814123
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
CID 63721268
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92554910
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554912
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 126470110

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).