4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide

C18H18N2O2S — CID 154563991

IUPAC4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccnc2-c2cccc3ccccc23)CC1
InChIInChI=1S/C18H18N2O2S/c21-23(22)12-8-15(9-13-23)20-11-10-19-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,10-11,15H,8-9,12-13H2
InChIKeyJYDJLBHJMIQPIK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.45
Rot. Bonds2

About 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide

4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide (PubChem CID 154563991) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
PubChem CID154563991
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccnc2-c2cccc3ccccc23)CC1
InChIInChI=1S/C18H18N2O2S/c21-23(22)12-8-15(9-13-23)20-11-10-19-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,10-11,15H,8-9,12-13H2
InChIKeyJYDJLBHJMIQPIK-UHFFFAOYSA-N
XLogP3.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155918918
4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154815819
acetic acid;4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938294
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
1-ethenyl-2-naphthalen-1-ylimidazole
CID 174900628
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 45168668
9-[4-(1-cyclohexylimidazol-2-yl)phenyl]carbazole
CID 140799922
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
acetic acid;4-[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938497

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide (CID 154563991) is 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide is O=S1(=O)CCC(n2ccnc2-c2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide?
The InChIKey is JYDJLBHJMIQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-23(22)12-8-15(9-13-23)20-11-10-19-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,10-11,15H,8-9,12-13H2.
What are the key properties of 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide?
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide has a molecular weight of 326.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 154563991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).