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

C20H20N2O2 — CID 2662576

IUPAC(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1
InChIInChI=1S/C20H20N2O2/c1-13-7-8-14(2)16(11-13)12-22-18(23)20(21-19(22)24)10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyRFVCDDZCDHKRCY-FQEVSTJZSA-N
MW320.39 g/mol
LogP3.20
Rot. Bonds2

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

(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 2662576) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID2662576
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1
InChIInChI=1S/C20H20N2O2/c1-13-7-8-14(2)16(11-13)12-22-18(23)20(21-19(22)24)10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyRFVCDDZCDHKRCY-FQEVSTJZSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033622
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(3S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41130841
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756
(3S)-3'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 2662576) is (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cc1ccc(C)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1.
What is the InChIKey of (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is RFVCDDZCDHKRCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-7-8-14(2)16(11-13)12-22-18(23)20(21-19(22)24)10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 320.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2662576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).