3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C20H19ClN2O3 — CID 16571105

IUPAC3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c21-15-6-8-16(9-7-15)26-13-3-12-23-18(24)20(22-19(23)25)11-10-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,22,25)
InChIKeyUYROHNSLZUUIIP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.50
Rot. Bonds5

About 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 16571105) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID16571105
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c21-15-6-8-16(9-7-15)26-13-3-12-23-18(24)20(22-19(23)25)11-10-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,22,25)
InChIKeyUYROHNSLZUUIIP-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(5R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40794945
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731
(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666026

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 16571105) is 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1.
What is the InChIKey of 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is UYROHNSLZUUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-15-6-8-16(9-7-15)26-13-3-12-23-18(24)20(22-19(23)25)11-10-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,22,25).
What are the key properties of 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 370.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 16571105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).