N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide

C18H15F3N4O3 — CID 41064433

IUPACN-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3cccnc3)C2=O)cc1
InChIInChI=1S/C18H15F3N4O3/c1-11-4-6-13(7-5-11)14(26)23-17(18(19,20)21)15(27)25(16(28)24-17)10-12-3-2-8-22-9-12/h2-9H,10H2,1H3,(H,23,26)(H,24,28)/t17-/m0/s1
InChIKeyJALAIZGXYSIUIL-KRWDZBQOSA-N
MW392.34 g/mol
LogP2.13
Rot. Bonds4

About N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide

N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide (PubChem CID 41064433) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
PubChem CID41064433
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3cccnc3)C2=O)cc1
InChIInChI=1S/C18H15F3N4O3/c1-11-4-6-13(7-5-11)14(26)23-17(18(19,20)21)15(27)25(16(28)24-17)10-12-3-2-8-22-9-12/h2-9H,10H2,1H3,(H,23,26)(H,24,28)/t17-/m0/s1
InChIKeyJALAIZGXYSIUIL-KRWDZBQOSA-N
XLogP2.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 2220199
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
CID 3721563
N-[(4S)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 41062810
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 7012722
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide (CID 41064433) is N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3cccnc3)C2=O)cc1.
What is the InChIKey of N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
The InChIKey is JALAIZGXYSIUIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-11-4-6-13(7-5-11)14(26)23-17(18(19,20)21)15(27)25(16(28)24-17)10-12-3-2-8-22-9-12/h2-9H,10H2,1H3,(H,23,26)(H,24,28)/t17-/m0/s1.
What are the key properties of N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide?
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide has a molecular weight of 392.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 41064433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).