2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone

C17H13FN2OS — CID 33341666

IUPAC2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1nccn1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H13FN2OS/c18-14-7-4-8-15(11-14)20-10-9-19-17(20)22-12-16(21)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyJNQRBYUKXNHKLL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.99
Rot. Bonds5

About 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone

2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone (PubChem CID 33341666) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
PubChem CID33341666
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
SMILESO=C(CSc1nccn1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H13FN2OS/c18-14-7-4-8-15(11-14)20-10-9-19-17(20)22-12-16(21)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyJNQRBYUKXNHKLL-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 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone (CID 33341666) is 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone is O=C(CSc1nccn1-c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The InChIKey is JNQRBYUKXNHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-14-7-4-8-15(11-14)20-10-9-19-17(20)22-12-16(21)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone 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 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 33341666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).