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

C18H22N2O2 — CID 84601499

IUPAC3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1CC1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-16-18(11-10-14-8-4-5-9-15(14)18)19-17(22)20(16)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,22)
InChIKeyRRKRUPWHEHTOTI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds2

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

3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 84601499) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID84601499
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1CC1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-16-18(11-10-14-8-4-5-9-15(14)18)19-17(22)20(16)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,22)
InChIKeyRRKRUPWHEHTOTI-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
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

N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
(4S)-3'-(cyclohexylmethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771937
3'-[(1-hydroxycyclohexyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47556160
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 41179879
N-cyclohexyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 17390409
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090

Frequently Asked Questions

What is the IUPAC name of 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 84601499) is 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1CC1CCCCC1.
What is the InChIKey of 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is RRKRUPWHEHTOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-16-18(11-10-14-8-4-5-9-15(14)18)19-17(22)20(16)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,22).
What are the key properties of 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 298.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 84601499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).