2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide

C20H20FN3OS — CID 7151002

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20FN3OS/c21-18-8-6-17(7-9-18)14-24-13-12-23-20(24)26-15-19(25)22-11-10-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H,22,25)
InChIKeyQGUIBRWATFAAOI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.52
Rot. Bonds8

About 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7151002) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7151002
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20FN3OS/c21-18-8-6-17(7-9-18)14-24-13-12-23-20(24)26-15-19(25)22-11-10-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H,22,25)
InChIKeyQGUIBRWATFAAOI-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7151002) is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nccn1Cc1ccc(F)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is QGUIBRWATFAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-18-8-6-17(7-9-18)14-24-13-12-23-20(24)26-15-19(25)22-11-10-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H,22,25).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).