[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol

C9H16N2O2S — CID 14976042

IUPAC[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol
SMILESCCCSc1nc(CO)c(CO)n1C
InChIInChI=1S/C9H16N2O2S/c1-3-4-14-9-10-7(5-12)8(6-13)11(9)2/h12-13H,3-6H2,1-2H3
InChIKeyZXXUKLDKADFIKY-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.91
Rot. Bonds5

About [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol

[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol (PubChem CID 14976042) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol
PubChem CID14976042
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol
SMILESCCCSc1nc(CO)c(CO)n1C
InChIInChI=1S/C9H16N2O2S/c1-3-4-14-9-10-7(5-12)8(6-13)11(9)2/h12-13H,3-6H2,1-2H3
InChIKeyZXXUKLDKADFIKY-UHFFFAOYSA-N
XLogP0.91
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol (CID 14976042) is [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol is CCCSc1nc(CO)c(CO)n1C.
What is the InChIKey of [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol?
The InChIKey is ZXXUKLDKADFIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-4-14-9-10-7(5-12)8(6-13)11(9)2/h12-13H,3-6H2,1-2H3.
What are the key properties of [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol?
[5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol has a molecular weight of 216.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1-methyl-2-propylsulfanylimidazol-4-yl]methanol is sourced from PubChem (CID 14976042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).