1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole

C14H18N2OS3 — CID 12840606

IUPAC1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole
SMILESCCOCn1c(Sc2ccccc2)nc(SC)c1SC
InChIInChI=1S/C14H18N2OS3/c1-4-17-10-16-13(19-3)12(18-2)15-14(16)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeySUTXJPGDDUDCKS-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.47
Rot. Bonds7

About 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole

1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole (PubChem CID 12840606) has the molecular formula C14H18N2OS3 and a molecular weight of 326.51 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole
PubChem CID12840606
Molecular FormulaC14H18N2OS3
Molecular Weight326.51 g/mol
Exact Mass326.06
IUPAC Name1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole
SMILESCCOCn1c(Sc2ccccc2)nc(SC)c1SC
InChIInChI=1S/C14H18N2OS3/c1-4-17-10-16-13(19-3)12(18-2)15-14(16)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeySUTXJPGDDUDCKS-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole?
The IUPAC name of 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole (CID 12840606) is 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole?
The canonical SMILES for 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole is CCOCn1c(Sc2ccccc2)nc(SC)c1SC.
What is the InChIKey of 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole?
The InChIKey is SUTXJPGDDUDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS3/c1-4-17-10-16-13(19-3)12(18-2)15-14(16)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole?
1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole has a molecular weight of 326.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,5-bis(methylsulfanyl)-2-phenylsulfanylimidazole is sourced from PubChem (CID 12840606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).