(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

C22H28N4O3 — CID 9360912

IUPAC(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C22H28N4O3/c1-22(18-8-7-15-3-2-4-17(15)13-18)20(28)26(21(29)23-22)14-24-9-11-25(12-10-24)19(27)16-5-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,23,29)/t22-/m1/s1
InChIKeyVFHISEQUOGPUAO-JOCHJYFZSA-N
MW396.49 g/mol
LogP1.45
Rot. Bonds4

About (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 9360912) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
PubChem CID9360912
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C22H28N4O3/c1-22(18-8-7-15-3-2-4-17(15)13-18)20(28)26(21(29)23-22)14-24-9-11-25(12-10-24)19(27)16-5-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,23,29)/t22-/m1/s1
InChIKeyVFHISEQUOGPUAO-JOCHJYFZSA-N
XLogP1.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.45
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

4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide
CID 46443617
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 55401238
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 46675649
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7883887
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 39968653
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8602029
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
N-(tert-butylcarbamoyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7883905
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 41190568
N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide
CID 97248650
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9320017

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (CID 9360912) is (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O.
What is the InChIKey of (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VFHISEQUOGPUAO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(18-8-7-15-3-2-4-17(15)13-18)20(28)26(21(29)23-22)14-24-9-11-25(12-10-24)19(27)16-5-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,23,29)/t22-/m1/s1.
What are the key properties of (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9360912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).