[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C12H20N2O2S — CID 116522844

IUPAC[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCC1CCC(C)(C)O1
InChIInChI=1S/C12H20N2O2S/c1-12(2)5-4-10(16-12)8-17-11-13-6-9(7-15)14(11)3/h6,10,15H,4-5,7-8H2,1-3H3
InChIKeyKFGFTHOCNOBOOU-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.96
Rot. Bonds4

About [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 116522844) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID116522844
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCC1CCC(C)(C)O1
InChIInChI=1S/C12H20N2O2S/c1-12(2)5-4-10(16-12)8-17-11-13-6-9(7-15)14(11)3/h6,10,15H,4-5,7-8H2,1-3H3
InChIKeyKFGFTHOCNOBOOU-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 116522844) is [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCC1CCC(C)(C)O1.
What is the InChIKey of [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is KFGFTHOCNOBOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2)5-4-10(16-12)8-17-11-13-6-9(7-15)14(11)3/h6,10,15H,4-5,7-8H2,1-3H3.
What are the key properties of [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 116522844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).