(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C19H16Cl2N2O3 — CID 2417216

IUPAC(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c20-13-5-6-16(15(21)11-13)26-10-9-23-17(24)19(22-18(23)25)8-7-12-3-1-2-4-14(12)19/h1-6,11H,7-10H2,(H,22,25)/t19-/m0/s1
InChIKeyRUTFAEPNLDQTGE-IBGZPJMESA-N
MW391.25 g/mol
LogP3.77
Rot. Bonds4

About (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 2417216) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID2417216
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c20-13-5-6-16(15(21)11-13)26-10-9-23-17(24)19(22-18(23)25)8-7-12-3-1-2-4-14(12)19/h1-6,11H,7-10H2,(H,22,25)/t19-/m0/s1
InChIKeyRUTFAEPNLDQTGE-IBGZPJMESA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
3'-(2-phenoxyethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18074717
4-[2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]ethoxy]benzonitrile
CID 51447055
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
3'-[(3,5-dichloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166201393
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
(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 (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 2417216) is (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is RUTFAEPNLDQTGE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-13-5-6-16(15(21)11-13)26-10-9-23-17(24)19(22-18(23)25)8-7-12-3-1-2-4-14(12)19/h1-6,11H,7-10H2,(H,22,25)/t19-/m0/s1.
What are the key properties of (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 391.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2417216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).