3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

C14H18F3N3O — CID 83248240

IUPAC3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCN(C)CCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c1-19(2)7-8-20-12(21)9-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,13,18H,7-9H2,1-2H3
InChIKeyIBPKEWQQSXNEKK-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83248240) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83248240
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCN(C)CCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c1-19(2)7-8-20-12(21)9-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,13,18H,7-9H2,1-2H3
InChIKeyIBPKEWQQSXNEKK-UHFFFAOYSA-N
XLogP1.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83248240) is 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CN(C)CCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is IBPKEWQQSXNEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-19(2)7-8-20-12(21)9-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,13,18H,7-9H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 301.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83248240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).