2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one

C14H19F2N3O — CID 83250579

IUPAC2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CCN(C)C)C1=O
InChIInChI=1S/C14H19F2N3O/c1-9-14(20)19(7-6-18(2)3)13(17-9)10-4-5-11(15)12(16)8-10/h4-5,8-9,13,17H,6-7H2,1-3H3
InChIKeyGSUFRQROEFVDIN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.35
Rot. Bonds4

About 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one

2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (PubChem CID 83250579) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
PubChem CID83250579
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CCN(C)C)C1=O
InChIInChI=1S/C14H19F2N3O/c1-9-14(20)19(7-6-18(2)3)13(17-9)10-4-5-11(15)12(16)8-10/h4-5,8-9,13,17H,6-7H2,1-3H3
InChIKeyGSUFRQROEFVDIN-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.35
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)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (CID 83250579) is 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is CC1NC(c2ccc(F)c(F)c2)N(CCN(C)C)C1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The InChIKey is GSUFRQROEFVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-14(20)19(7-6-18(2)3)13(17-9)10-4-5-11(15)12(16)8-10/h4-5,8-9,13,17H,6-7H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one has a molecular weight of 283.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 83250579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).