4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide

C11H17F3N4O2 — CID 128820708

IUPAC4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCN2)CN1CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2/c12-11(13,14)6-18-7-17(5-9(18)19)10(20)16-4-8-2-1-3-15-8/h8,15H,1-7H2,(H,16,20)
InChIKeyYRNFVBTZQXYOCE-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.11
Rot. Bonds3

About 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide

4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide (PubChem CID 128820708) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
PubChem CID128820708
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCN2)CN1CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2/c12-11(13,14)6-18-7-17(5-9(18)19)10(20)16-4-8-2-1-3-15-8/h8,15H,1-7H2,(H,16,20)
InChIKeyYRNFVBTZQXYOCE-UHFFFAOYSA-N
XLogP0.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The IUPAC name of 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide (CID 128820708) is 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide is O=C1CN(C(=O)NCC2CCCN2)CN1CC(F)(F)F.
What is the InChIKey of 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The InChIKey is YRNFVBTZQXYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c12-11(13,14)6-18-7-17(5-9(18)19)10(20)16-4-8-2-1-3-15-8/h8,15H,1-7H2,(H,16,20).
What are the key properties of 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 128820708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).