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

C17H13ClN2O2 — CID 141235687

IUPAC1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3ccccc32)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-12-5-7-13(8-6-12)20-16(22)19-15(21)17(20)10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,19,21,22)
InChIKeyDTWIWVCPZIQWFU-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.24
Rot. Bonds1

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

1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 141235687) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID141235687
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3ccccc32)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-12-5-7-13(8-6-12)20-16(22)19-15(21)17(20)10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,19,21,22)
InChIKeyDTWIWVCPZIQWFU-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.24
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

(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155522284
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155523913
1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 175506562
bis[5-(4-chlorophenoxy)-1,2,3,4-tetrahydro-3-benzazepin-5-yl] oxalate
CID 57168937
1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 79499915
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 141235687) is 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCc3ccccc32)N1c1ccc(Cl)cc1.
What is the InChIKey of 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is DTWIWVCPZIQWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-12-5-7-13(8-6-12)20-16(22)19-15(21)17(20)10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,19,21,22).
What are the key properties of 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 312.76 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 141235687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).