N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide

C10H14F3N3O3 — CID 2968907

IUPACN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-3-4-5-6(17)14-9(10(11,12)13)7(18)16(2)8(19)15-9/h3-5H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyBSRGHZHEFCYWQE-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.73
Rot. Bonds4

About N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide

N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (PubChem CID 2968907) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
PubChem CID2968907
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-3-4-5-6(17)14-9(10(11,12)13)7(18)16(2)8(19)15-9/h3-5H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyBSRGHZHEFCYWQE-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (CID 2968907) is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The canonical SMILES for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is CCCCC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O.
What is the InChIKey of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The InChIKey is BSRGHZHEFCYWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-3-4-5-6(17)14-9(10(11,12)13)7(18)16(2)8(19)15-9/h3-5H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide has a molecular weight of 281.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is sourced from PubChem (CID 2968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).