3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile

C24H20N4O4 — CID 41084628

IUPAC3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c2ccccc21
InChIInChI=1S/C24H20N4O4/c25-11-5-12-27-14-17(16-6-1-3-8-19(16)27)20(29)15-28-22(30)24(26-23(28)31)10-13-32-21-9-4-2-7-18(21)24/h1-4,6-9,14H,5,10,12-13,15H2,(H,26,31)/t24-/m1/s1
InChIKeyQKKCIBHLSGGGCV-XMMPIXPASA-N
MW428.45 g/mol
LogP2.97
Rot. Bonds5

About 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile

3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile (PubChem CID 41084628) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile
PubChem CID41084628
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c2ccccc21
InChIInChI=1S/C24H20N4O4/c25-11-5-12-27-14-17(16-6-1-3-8-19(16)27)20(29)15-28-22(30)24(26-23(28)31)10-13-32-21-9-4-2-7-18(21)24/h1-4,6-9,14H,5,10,12-13,15H2,(H,26,31)/t24-/m1/s1
InChIKeyQKKCIBHLSGGGCV-XMMPIXPASA-N
XLogP2.97
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-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
N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 43011070
3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 7175021
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2413694
(4R)-3'-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 25480350
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9268099
3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17473546
(4S)-3'-[2-(4-tert-butylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 51488858
(4S)-3'-[2-(4-ethylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40630931
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 42898870
3'-[2-oxo-2-(4-phenoxyphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46602131

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile (CID 41084628) is 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile is N#CCCn1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c2ccccc21.
What is the InChIKey of 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile?
The InChIKey is QKKCIBHLSGGGCV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N4O4/c25-11-5-12-27-14-17(16-6-1-3-8-19(16)27)20(29)15-28-22(30)24(26-23(28)31)10-13-32-21-9-4-2-7-18(21)24/h1-4,6-9,14H,5,10,12-13,15H2,(H,26,31)/t24-/m1/s1.
What are the key properties of 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile?
3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile has a molecular weight of 428.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 41084628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).