3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C25H23N3O3S — CID 78845669

IUPAC3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3sccc32)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23N3O3S/c29-16(14-27-20-8-3-1-6-17(20)18-7-2-4-9-21(18)27)15-28-23(30)25(26-24(28)31)12-5-10-22-19(25)11-13-32-22/h1-4,6-9,11,13,16,29H,5,10,12,14-15H2,(H,26,31)
InChIKeyFHVNMWFIQGMITI-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.00
Rot. Bonds4

About 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 78845669) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
PubChem CID78845669
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3sccc32)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23N3O3S/c29-16(14-27-20-8-3-1-6-17(20)18-7-2-4-9-21(18)27)15-28-23(30)25(26-24(28)31)12-5-10-22-19(25)11-13-32-22/h1-4,6-9,11,13,16,29H,5,10,12,14-15H2,(H,26,31)
InChIKeyFHVNMWFIQGMITI-UHFFFAOYSA-N
XLogP4.00
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112812704
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 7772282
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 7772461
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41113491
3'-(3-phenylprop-2-enyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 73391006
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772587
N-cyclopropyl-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772252
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(3-phenylpropyl)acetamide
CID 7772467
(4R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40855150
(4S)-3'-(cyclohexylmethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771937
3'-[(2-propan-2-yloxyphenyl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 71939550

Frequently Asked Questions

What is the IUPAC name of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 78845669) is 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3sccc32)C(=O)N1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FHVNMWFIQGMITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-16(14-27-20-8-3-1-6-17(20)18-7-2-4-9-21(18)27)15-28-23(30)25(26-24(28)31)12-5-10-22-19(25)11-13-32-22/h1-4,6-9,11,13,16,29H,5,10,12,14-15H2,(H,26,31).
What are the key properties of 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 445.54 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-carbazol-9-yl-2-hydroxypropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 78845669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).