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

C18H16ClFN2OS — CID 4081040

IUPAC2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-5-1-13(2-6-15)11-17(23)22-10-9-21-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKeyTXQQASDOSULDNA-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.15
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4081040) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4081040
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-5-1-13(2-6-15)11-17(23)22-10-9-21-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKeyTXQQASDOSULDNA-UHFFFAOYSA-N
XLogP4.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 4081040) is 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is TXQQASDOSULDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-15-5-1-13(2-6-15)11-17(23)22-10-9-21-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 362.86 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4081040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).