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

C13H16N2OS2 — CID 12840603

IUPAC1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole
SMILESCCOCn1c(SC)cnc1Sc1ccccc1
InChIInChI=1S/C13H16N2OS2/c1-3-16-10-15-12(17-2)9-14-13(15)18-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyUKUCTLAMEBEKDN-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.75
Rot. Bonds6

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

1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole (PubChem CID 12840603) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole
PubChem CID12840603
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole
SMILESCCOCn1c(SC)cnc1Sc1ccccc1
InChIInChI=1S/C13H16N2OS2/c1-3-16-10-15-12(17-2)9-14-13(15)18-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyUKUCTLAMEBEKDN-UHFFFAOYSA-N
XLogP3.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 136002017
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1-methylimidazole
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1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
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1-Methyl-2-phenylsulfanyl-1H-imidazole
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1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
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2-(Phenylthio)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-imidazole
CID 11232041
1-Methyl-2-(4-methylphenyl)sulfanylimidazole
CID 11333187
1-[1-[(2,4-Difluorophenyl)sulfanylmethoxy]ethyl]imidazole
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1-[1-(2,4-Difluorophenyl)sulfanyl-2-methoxyethyl]imidazole
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1-(Methoxymethyl)imidazole;phenyl-(3-propan-2-ylsulfanylphenyl)-(5,5,5-trifluoropent-3-enyl)borane
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Bis(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-lambda4-sulfane
CID 69843000

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole?
The IUPAC name of 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole (CID 12840603) is 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole?
The canonical SMILES for 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole is CCOCn1c(SC)cnc1Sc1ccccc1.
What is the InChIKey of 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole?
The InChIKey is UKUCTLAMEBEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-3-16-10-15-12(17-2)9-14-13(15)18-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole?
1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole has a molecular weight of 280.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-methylsulfanyl-2-phenylsulfanylimidazole is sourced from PubChem (CID 12840603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).