3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C27H25N3O3 — CID 112812704

IUPAC3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C27H25N3O3/c31-20(16-29-23-11-5-3-9-21(23)22-10-4-6-12-24(22)29)17-30-25(32)27(28-26(30)33)14-13-18-7-1-2-8-19(18)15-27/h1-12,20,31H,13-17H2,(H,28,33)
InChIKeyZJTWOMNHMLYUBS-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.63
Rot. Bonds4

About 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 112812704) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID112812704
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C27H25N3O3/c31-20(16-29-23-11-5-3-9-21(23)22-10-4-6-12-24(22)29)17-30-25(32)27(28-26(30)33)14-13-18-7-1-2-8-19(18)15-27/h1-12,20,31H,13-17H2,(H,28,33)
InChIKeyZJTWOMNHMLYUBS-UHFFFAOYSA-N
XLogP3.63
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-[2-hydroxy-3-(4-phenylphenoxy)propyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112796191
2-(3-carbazol-9-yl-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 42944282
3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78845669
(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 32518558
3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 40593052
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 42944281
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
2-[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-naphthalen-1-ylacetamide
CID 2364607
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373

Frequently Asked Questions

What is the IUPAC name of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 112812704) is 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is ZJTWOMNHMLYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-20(16-29-23-11-5-3-9-21(23)22-10-4-6-12-24(22)29)17-30-25(32)27(28-26(30)33)14-13-18-7-1-2-8-19(18)15-27/h1-12,20,31H,13-17H2,(H,28,33).
What are the key properties of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 439.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 112812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).