3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C18H14Cl2N2O2 — CID 3989090

IUPAC3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-3-7-15(20)12(14)10-22-16(23)18(21-17(22)24)9-8-11-4-1-2-5-13(11)18/h1-7H,8-10H2,(H,21,24)
InChIKeyMYBAIUMZAQWBNI-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.89
Rot. Bonds2

About 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 3989090) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID3989090
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-3-7-15(20)12(14)10-22-16(23)18(21-17(22)24)9-8-11-4-1-2-5-13(11)18/h1-7H,8-10H2,(H,21,24)
InChIKeyMYBAIUMZAQWBNI-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.89
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

(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
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'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
3'-[(3,5-dichloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166201393
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
(4S)-3'-[(3,4-dichlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2102939
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
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 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 3989090) is 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is MYBAIUMZAQWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-6-3-7-15(20)12(14)10-22-16(23)18(21-17(22)24)9-8-11-4-1-2-5-13(11)18/h1-7H,8-10H2,(H,21,24).
What are the key properties of 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 361.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 3989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).