5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione

C22H24N2O3 — CID 60602072

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(CCCOc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-22(18-12-11-16-7-5-8-17(16)15-18)20(25)24(21(26)23-22)13-6-14-27-19-9-3-2-4-10-19/h2-4,9-12,15H,5-8,13-14H2,1H3,(H,23,26)
InChIKeyIFMSYCPPEHRVPZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione (PubChem CID 60602072) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
PubChem CID60602072
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(CCCOc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-22(18-12-11-16-7-5-8-17(16)15-18)20(25)24(21(26)23-22)13-6-14-27-19-9-3-2-4-10-19/h2-4,9-12,15H,5-8,13-14H2,1H3,(H,23,26)
InChIKeyIFMSYCPPEHRVPZ-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
3-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 1262771
N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide
CID 97248650
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
CID 59235071
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione (CID 60602072) is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione is CC1(c2ccc3c(c2)CCC3)NC(=O)N(CCCOc2ccccc2)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
The InChIKey is IFMSYCPPEHRVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(18-12-11-16-7-5-8-17(16)15-18)20(25)24(21(26)23-22)13-6-14-27-19-9-3-2-4-10-19/h2-4,9-12,15H,5-8,13-14H2,1H3,(H,23,26).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione?
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 60602072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).