3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile

C24H22N4O3 — CID 7175021

IUPAC3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O
InChIInChI=1S/C24H22N4O3/c1-2-24(17-9-4-3-5-10-17)22(30)28(23(31)26-24)16-21(29)19-15-27(14-8-13-25)20-12-7-6-11-18(19)20/h3-7,9-12,15H,2,8,14,16H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyNKNZSMDLWWSXFA-XMMPIXPASA-N
MW414.47 g/mol
LogP3.59
Rot. Bonds7

About 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile

3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile (PubChem CID 7175021) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
PubChem CID7175021
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O
InChIInChI=1S/C24H22N4O3/c1-2-24(17-9-4-3-5-10-17)22(30)28(23(31)26-24)16-21(29)19-15-27(14-8-13-25)20-12-7-6-11-18(19)20/h3-7,9-12,15H,2,8,14,16H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyNKNZSMDLWWSXFA-XMMPIXPASA-N
XLogP3.59
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile 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

3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 40864288
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile
CID 41084628
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
(5S)-5-ethyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41253437
3-[3-[2-[butyl(methyl)amino]acetyl]indol-1-yl]propanenitrile
CID 86909797
3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
3-[3-[2-[2-hydroxyethyl(methyl)amino]acetyl]indol-1-yl]propanenitrile
CID 110880242
N-(2-cyanoethyl)-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2099551
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile (CID 7175021) is 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O.
What is the InChIKey of 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The InChIKey is NKNZSMDLWWSXFA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-24(17-9-4-3-5-10-17)22(30)28(23(31)26-24)16-21(29)19-15-27(14-8-13-25)20-12-7-6-11-18(19)20/h3-7,9-12,15H,2,8,14,16H2,1H3,(H,26,31)/t24-/m1/s1.
What are the key properties of 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile has a molecular weight of 414.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 7175021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).