4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol

C13H16N2OS — CID 12833696

IUPAC4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol
SMILESCCSc1nc(-c2ccc(O)cc2)cn1CC
InChIInChI=1S/C13H16N2OS/c1-3-15-9-12(14-13(15)17-4-2)10-5-7-11(16)8-6-10/h5-9,16H,3-4H2,1-2H3
InChIKeyCPRMWPBIOZGNLV-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.39
Rot. Bonds4

About 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol

4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol (PubChem CID 12833696) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol
PubChem CID12833696
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol
SMILESCCSc1nc(-c2ccc(O)cc2)cn1CC
InChIInChI=1S/C13H16N2OS/c1-3-15-9-12(14-13(15)17-4-2)10-5-7-11(16)8-6-10/h5-9,16H,3-4H2,1-2H3
InChIKeyCPRMWPBIOZGNLV-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol?
The IUPAC name of 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol (CID 12833696) is 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol.
What is the SMILES notation for 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol?
The canonical SMILES for 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol is CCSc1nc(-c2ccc(O)cc2)cn1CC.
What is the InChIKey of 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol?
The InChIKey is CPRMWPBIOZGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-15-9-12(14-13(15)17-4-2)10-5-7-11(16)8-6-10/h5-9,16H,3-4H2,1-2H3.
What are the key properties of 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol?
4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol has a molecular weight of 248.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-ethylsulfanylimidazol-4-yl)phenol is sourced from PubChem (CID 12833696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).