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

C19H18FN3OS — CID 7150981

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-17-8-6-15(7-9-17)12-22-18(24)14-25-19-21-10-11-23(19)13-16-4-2-1-3-5-16/h1-11H,12-14H2,(H,22,24)
InChIKeyPEENOOQTIJKQOP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.48
Rot. Bonds7

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

2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7150981) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7150981
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-17-8-6-15(7-9-17)12-22-18(24)14-25-19-21-10-11-23(19)13-16-4-2-1-3-5-16/h1-11H,12-14H2,(H,22,24)
InChIKeyPEENOOQTIJKQOP-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (CID 7150981) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(CSc1nccn1Cc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PEENOOQTIJKQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-17-8-6-15(7-9-17)12-22-18(24)14-25-19-21-10-11-23(19)13-16-4-2-1-3-5-16/h1-11H,12-14H2,(H,22,24).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).