2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide

C23H23N5O4 — CID 46656981

IUPAC2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C23H23N5O4/c1-14-7-9-16(10-8-14)23(2)21(31)28(22(32)25-23)13-20(30)27-26-19(29)11-15-12-24-18-6-4-3-5-17(15)18/h3-10,12,24H,11,13H2,1-2H3,(H,25,32)(H,26,29)(H,27,30)
InChIKeyNZRWEEIDJOMYCZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.63
Rot. Bonds5

About 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide

2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide (PubChem CID 46656981) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
PubChem CID46656981
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C23H23N5O4/c1-14-7-9-16(10-8-14)23(2)21(31)28(22(32)25-23)13-20(30)27-26-19(29)11-15-12-24-18-6-4-3-5-17(15)18/h3-10,12,24H,11,13H2,1-2H3,(H,25,32)(H,26,29)(H,27,30)
InChIKeyNZRWEEIDJOMYCZ-UHFFFAOYSA-N
XLogP1.63
TPSA123.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41130447
N'-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 55495846
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456306
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674
(5R)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 40881994
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
2-(1H-indol-3-yl)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 31860262
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936
2-methyl-N'-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]furan-3-carbohydrazide
CID 24981566

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide?
The IUPAC name of 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide (CID 46656981) is 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide?
The InChIKey is NZRWEEIDJOMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14-7-9-16(10-8-14)23(2)21(31)28(22(32)25-23)13-20(30)27-26-19(29)11-15-12-24-18-6-4-3-5-17(15)18/h3-10,12,24H,11,13H2,1-2H3,(H,25,32)(H,26,29)(H,27,30).
What are the key properties of 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide?
2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide has a molecular weight of 433.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide is sourced from PubChem (CID 46656981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).