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

C18H15ClN2O2 — CID 9438659

IUPAC(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-6-3-4-12(10-14)11-21-16(22)18(20-17(21)23)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,20,23)/t18-/m1/s1
InChIKeyNYZYKSLHRLIZLL-GOSISDBHSA-N
MW326.78 g/mol
LogP3.23
Rot. Bonds2

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

(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 9438659) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID9438659
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-6-3-4-12(10-14)11-21-16(22)18(20-17(21)23)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,20,23)/t18-/m1/s1
InChIKeyNYZYKSLHRLIZLL-GOSISDBHSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.23
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

(3S)-3'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
(4S)-3'-[(3,4-dichlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2102939
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
3'-[[3-(piperidine-1-carbonyl)phenyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166186603
(5R)-3'-[(3-nitrophenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40897486
3'-[(3,5-dichloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166201393
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3'-[(4-bromophenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964276

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 9438659) is (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is NYZYKSLHRLIZLL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-6-3-4-12(10-14)11-21-16(22)18(20-17(21)23)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,20,23)/t18-/m1/s1.
What are the key properties of (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 326.78 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 9438659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).