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

C22H22N4O3 — CID 31435242

IUPAC2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H22N4O3/c1-22(12-11-15-7-3-2-4-8-15)20(28)26(21(29)24-22)25-19(27)13-16-14-23-18-10-6-5-9-17(16)18/h2-10,14,23H,11-13H2,1H3,(H,24,29)(H,25,27)/t22-/m1/s1
InChIKeyPDACKVCWFPTIDT-JOCHJYFZSA-N
MW390.44 g/mol
LogP2.68
Rot. Bonds6

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

2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 31435242) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID31435242
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H22N4O3/c1-22(12-11-15-7-3-2-4-8-15)20(28)26(21(29)24-22)25-19(27)13-16-14-23-18-10-6-5-9-17(16)18/h2-10,14,23H,11-13H2,1H3,(H,24,29)(H,25,27)/t22-/m1/s1
InChIKeyPDACKVCWFPTIDT-JOCHJYFZSA-N
XLogP2.68
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.68
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

4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 55438287
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
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
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 31438215
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
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (E)-but-2-enoate
CID 9081055
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 31435242) is 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is PDACKVCWFPTIDT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-22(12-11-15-7-3-2-4-8-15)20(28)26(21(29)24-22)25-19(27)13-16-14-23-18-10-6-5-9-17(16)18/h2-10,14,23H,11-13H2,1H3,(H,24,29)(H,25,27)/t22-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 31435242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).