N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C21H17F3N4O3 — CID 4908776

IUPACN-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)20(26-17(29)13-6-2-1-3-7-13)18(30)28(19(31)27-20)11-10-14-12-25-16-9-5-4-8-15(14)16/h1-9,12,25H,10-11H2,(H,26,29)(H,27,31)
InChIKeyPAAMENHQRHRYJB-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.95
Rot. Bonds5

About N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 4908776) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID4908776
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)20(26-17(29)13-6-2-1-3-7-13)18(30)28(19(31)27-20)11-10-14-12-25-16-9-5-4-8-15(14)16/h1-9,12,25H,10-11H2,(H,26,29)(H,27,31)
InChIKeyPAAMENHQRHRYJB-UHFFFAOYSA-N
XLogP2.95
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide 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-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 41091994
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-[(4R)-2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 2066814
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
CID 155378086
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 40936967
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
CID 156568746
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 4908776) is N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(NC1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1.
What is the InChIKey of N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is PAAMENHQRHRYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)20(26-17(29)13-6-2-1-3-7-13)18(30)28(19(31)27-20)11-10-14-12-25-16-9-5-4-8-15(14)16/h1-9,12,25H,10-11H2,(H,26,29)(H,27,31).
What are the key properties of N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 430.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 4908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).