4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide

C24H26N4O3 — CID 55438287

IUPAC4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(15-14-17-8-3-2-4-9-17)22(30)28(23(31)26-24)27-21(29)13-7-10-18-16-25-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,16,25H,7,10,13-15H2,1H3,(H,26,31)(H,27,29)
InChIKeyRDEZEPOGRRVEBK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.47
Rot. Bonds8

About 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide

4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide (PubChem CID 55438287) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
PubChem CID55438287
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(15-14-17-8-3-2-4-9-17)22(30)28(23(31)26-24)27-21(29)13-7-10-18-16-25-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,16,25H,7,10,13-15H2,1H3,(H,26,31)(H,27,29)
InChIKeyRDEZEPOGRRVEBK-UHFFFAOYSA-N
XLogP3.47
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8893036
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 31438215
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (E)-but-2-enoate
CID 9081055
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 25498107
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide (CID 55438287) is 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide?
The InChIKey is RDEZEPOGRRVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(15-14-17-8-3-2-4-9-17)22(30)28(23(31)26-24)27-21(29)13-7-10-18-16-25-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,16,25H,7,10,13-15H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide?
4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide has a molecular weight of 418.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide is sourced from PubChem (CID 55438287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).