(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C20H19BrN2O3 — CID 2666026

IUPAC(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCOc1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O3/c21-15-7-3-8-16(13-15)26-12-11-23-18(24)20(22-19(23)25)10-4-6-14-5-1-2-9-17(14)20/h1-3,5,7-9,13H,4,6,10-12H2,(H,22,25)/t20-/m0/s1
InChIKeyOPUSIJCCXSJSJI-FQEVSTJZSA-N
MW415.29 g/mol
LogP3.61
Rot. Bonds4

About (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2666026) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID2666026
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCOc1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O3/c21-15-7-3-8-16(13-15)26-12-11-23-18(24)20(22-19(23)25)10-4-6-14-5-1-2-9-17(14)20/h1-3,5,7-9,13H,4,6,10-12H2,(H,22,25)/t20-/m0/s1
InChIKeyOPUSIJCCXSJSJI-FQEVSTJZSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione 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

(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
3'-(2-phenoxyethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18074717
(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40819135
(5R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40794945
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
4-[2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]ethoxy]benzonitrile
CID 51447055
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
(3S)-3'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
3'-(2-methylsulfonylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 56797064

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2666026) is (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCOc1cccc(Br)c1.
What is the InChIKey of (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is OPUSIJCCXSJSJI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c21-15-7-3-8-16(13-15)26-12-11-23-18(24)20(22-19(23)25)10-4-6-14-5-1-2-9-17(14)20/h1-3,5,7-9,13H,4,6,10-12H2,(H,22,25)/t20-/m0/s1.
What are the key properties of (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 415.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2666026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).