1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

C17H13FN2OS — CID 33361851

IUPAC1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyTURFQNXQGXSGKO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (PubChem CID 33361851) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
PubChem CID33361851
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyTURFQNXQGXSGKO-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (CID 33361851) is 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is O=C(CSc1nccn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The InChIKey is TURFQNXQGXSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone has a molecular weight of 312.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 33361851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).