1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole

C13H16N2OS — CID 54090037

IUPAC1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole
SMILESCCOCn1c(C)cnc1Sc1ccccc1
InChIInChI=1S/C13H16N2OS/c1-3-16-10-15-11(2)9-14-13(15)17-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyMTEPOZYKCLNSQT-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole

1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole (PubChem CID 54090037) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole
PubChem CID54090037
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole
SMILESCCOCn1c(C)cnc1Sc1ccccc1
InChIInChI=1S/C13H16N2OS/c1-3-16-10-15-11(2)9-14-13(15)17-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyMTEPOZYKCLNSQT-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole?
The IUPAC name of 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole (CID 54090037) is 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole?
The canonical SMILES for 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole is CCOCn1c(C)cnc1Sc1ccccc1.
What is the InChIKey of 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole?
The InChIKey is MTEPOZYKCLNSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-10-15-11(2)9-14-13(15)17-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole?
1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole has a molecular weight of 248.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-methyl-2-phenylsulfanylimidazole is sourced from PubChem (CID 54090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).