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

C23H22N4O2 — CID 112808146

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cnn(-c3ccccc3)c2)C1=O
InChIInChI=1S/C23H22N4O2/c1-23(19-11-10-17-6-5-7-18(17)12-19)21(28)26(22(29)25-23)14-16-13-24-27(15-16)20-8-3-2-4-9-20/h2-4,8-13,15H,5-7,14H2,1H3,(H,25,29)
InChIKeyFVOHMRBKLSVYNE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.33
Rot. Bonds4

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

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 112808146) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID112808146
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cnn(-c3ccccc3)c2)C1=O
InChIInChI=1S/C23H22N4O2/c1-23(19-11-10-17-6-5-7-18(17)12-19)21(28)26(22(29)25-23)14-16-13-24-27(15-16)20-8-3-2-4-9-20/h2-4,8-13,15H,5-7,14H2,1H3,(H,25,29)
InChIKeyFVOHMRBKLSVYNE-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7988392
5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 71924329
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072
N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43824580
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 9321888
(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 41105232
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 40820459
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 47094696
(5R)-3-[(5-chlorothiadiazol-4-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 9452500

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (CID 112808146) is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cnn(-c3ccccc3)c2)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FVOHMRBKLSVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-23(19-11-10-17-6-5-7-18(17)12-19)21(28)26(22(29)25-23)14-16-13-24-27(15-16)20-8-3-2-4-9-20/h2-4,8-13,15H,5-7,14H2,1H3,(H,25,29).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 386.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112808146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).