2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

C15H19F2N3O — CID 83252608

IUPAC2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C15H19F2N3O/c1-9-15(21)20(11-5-6-19(2)8-11)14(18-9)10-3-4-12(16)13(17)7-10/h3-4,7,9,11,14,18H,5-6,8H2,1-2H3
InChIKeyUFBRBYBYTUMSNE-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.49
Rot. Bonds2

About 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (PubChem CID 83252608) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
PubChem CID83252608
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C15H19F2N3O/c1-9-15(21)20(11-5-6-19(2)8-11)14(18-9)10-3-4-12(16)13(17)7-10/h3-4,7,9,11,14,18H,5-6,8H2,1-2H3
InChIKeyUFBRBYBYTUMSNE-UHFFFAOYSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (CID 83252608) is 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is CC1NC(c2ccc(F)c(F)c2)N(C2CCN(C)C2)C1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The InChIKey is UFBRBYBYTUMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-9-15(21)20(11-5-6-19(2)8-11)14(18-9)10-3-4-12(16)13(17)7-10/h3-4,7,9,11,14,18H,5-6,8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one has a molecular weight of 295.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83252608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).