2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H18FN3O2S — CID 3236197

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-6,9H,7-8,10-12H2,(H,19,22)
InChIKeyZIVFMBKBBNRPCR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3236197) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3236197
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-6,9H,7-8,10-12H2,(H,19,22)
InChIKeyZIVFMBKBBNRPCR-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3236197) is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZIVFMBKBBNRPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-15-6-2-1-4-13(15)11-20-7-8-21(17(20)23)12-16(22)19-10-14-5-3-9-24-14/h1-6,9H,7-8,10-12H2,(H,19,22).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3236197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).