2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

C20H21FN2O2S — CID 5189192

IUPAC2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-2-25-18-8-6-15(7-9-18)13-19(24)23-11-10-22-20(23)26-14-16-4-3-5-17(21)12-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyDDBQLKZRWJGAGB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 5189192) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID5189192
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-2-25-18-8-6-15(7-9-18)13-19(24)23-11-10-22-20(23)26-14-16-4-3-5-17(21)12-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyDDBQLKZRWJGAGB-UHFFFAOYSA-N
XLogP3.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 5189192) is 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is DDBQLKZRWJGAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-2-25-18-8-6-15(7-9-18)13-19(24)23-11-10-22-20(23)26-14-16-4-3-5-17(21)12-16/h3-9,12H,2,10-11,13-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 5189192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).