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

C16H18F3N3O3 — CID 4264496

IUPACN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-2-3-9-12(23)20-15(16(17,18)19)13(24)22(14(25)21-15)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,20,23)(H,21,25)
InChIKeyPHBRMAJCVWLHJV-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.30
Rot. Bonds6

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

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (PubChem CID 4264496) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
PubChem CID4264496
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-2-3-9-12(23)20-15(16(17,18)19)13(24)22(14(25)21-15)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,20,23)(H,21,25)
InChIKeyPHBRMAJCVWLHJV-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.30
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-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The IUPAC name of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide (CID 4264496) is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The canonical SMILES for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is CCCCC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
The InChIKey is PHBRMAJCVWLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-2-3-9-12(23)20-15(16(17,18)19)13(24)22(14(25)21-15)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide?
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide has a molecular weight of 357.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide is sourced from PubChem (CID 4264496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).