4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one

C15H14F2N2O2S — CID 156902162

IUPAC4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESCOCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1
InChIInChI=1S/C15H14F2N2O2S/c1-21-6-9-4-8(7-22-9)10-2-3-11(14(17)13(10)16)12-5-18-15(20)19-12/h2-4,7,12H,5-6H2,1H3,(H2,18,19,20)
InChIKeySKTMZYQVDHKFHM-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.19
Rot. Bonds4

About 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one

4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (PubChem CID 156902162) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
PubChem CID156902162
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESCOCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1
InChIInChI=1S/C15H14F2N2O2S/c1-21-6-9-4-8(7-22-9)10-2-3-11(14(17)13(10)16)12-5-18-15(20)19-12/h2-4,7,12H,5-6H2,1H3,(H2,18,19,20)
InChIKeySKTMZYQVDHKFHM-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (CID 156902162) is 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is COCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1.
What is the InChIKey of 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is SKTMZYQVDHKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-21-6-9-4-8(7-22-9)10-2-3-11(14(17)13(10)16)12-5-18-15(20)19-12/h2-4,7,12H,5-6H2,1H3,(H2,18,19,20).
What are the key properties of 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 324.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 156902162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).