3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol

C15H20N2OS — CID 118300402

IUPAC3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol
SMILESCc1cc(O)cc(SCc2c(C)ncn2C(C)C)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)17-9-16-12(4)15(17)8-19-14-6-11(3)5-13(18)7-14/h5-7,9-10,18H,8H2,1-4H3
InChIKeyHWSXUPGRWUWQLD-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.08
Rot. Bonds4

About 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol

3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol (PubChem CID 118300402) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol
PubChem CID118300402
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol
SMILESCc1cc(O)cc(SCc2c(C)ncn2C(C)C)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)17-9-16-12(4)15(17)8-19-14-6-11(3)5-13(18)7-14/h5-7,9-10,18H,8H2,1-4H3
InChIKeyHWSXUPGRWUWQLD-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol?
The IUPAC name of 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol (CID 118300402) is 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol is Cc1cc(O)cc(SCc2c(C)ncn2C(C)C)c1.
What is the InChIKey of 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol?
The InChIKey is HWSXUPGRWUWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)17-9-16-12(4)15(17)8-19-14-6-11(3)5-13(18)7-14/h5-7,9-10,18H,8H2,1-4H3.
What are the key properties of 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol?
3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol has a molecular weight of 276.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenol is sourced from PubChem (CID 118300402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).