[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol

C8H11ClN2OS — CID 66150655

IUPAC[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESC=C(Cl)CSc1ncc(CO)n1C
InChIInChI=1S/C8H11ClN2OS/c1-6(9)5-13-8-10-3-7(4-12)11(8)2/h3,12H,1,4-5H2,2H3
InChIKeyNJYCWXKOLUJRCN-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.76
Rot. Bonds4

About [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol

[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol (PubChem CID 66150655) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
PubChem CID66150655
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESC=C(Cl)CSc1ncc(CO)n1C
InChIInChI=1S/C8H11ClN2OS/c1-6(9)5-13-8-10-3-7(4-12)11(8)2/h3,12H,1,4-5H2,2H3
InChIKeyNJYCWXKOLUJRCN-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol (CID 66150655) is [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol is C=C(Cl)CSc1ncc(CO)n1C.
What is the InChIKey of [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol?
The InChIKey is NJYCWXKOLUJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6(9)5-13-8-10-3-7(4-12)11(8)2/h3,12H,1,4-5H2,2H3.
What are the key properties of [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol?
[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol has a molecular weight of 218.71 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66150655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).